2020 HONOURS PROJECTS - School of Chemistry - The University of Sydney

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2020 HONOURS PROJECTS - School of Chemistry - The University of Sydney
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2020 HONOURS
PROJECTS
School of Chemistry
2020 HONOURS PROJECTS - School of Chemistry - The University of Sydney
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             useful information

         Local and International students
    Honours commencing in Semester 1, 2020.
      Applications close 30 November 2019.
     Mid-year honours commencing in Semester 2, 2020

             Applications close 30 June 2020

School of Chemistry application form can be
  found on the Honours in Science page
       https://sydney.edu.au/science/study/
    undergraduate-courses/honours-in-science.
                       html

                School of Chemistry
https://sydney.edu.au/science/schools/school-
              of-chemistry.html
2020 HONOURS PROJECTS - School of Chemistry - The University of Sydney
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CONTENTS
Members of the School are active across all the traditional and emerging areas of modern
chemical research. They are clustered around three multidisciplinary themes: functional
energy materials; self-assembled nanomaterials; and molecular innovations in health.

Functional energy materials                           29   Associate Professor Ron Clarke
    7     Dr Hamid Arandiyan                         30    Dr Jonathan Danon
     8    Associate Professor Deanna                 31    Professor Kate Jolliffe
          D’Alessandro
                                                     32    Dr William Jorgensen
     9    Associate Professor Meredith
                                                     33    Professor Michael Kassiou
          Jordan
     10   Dr Ivan Kassal                             34    Dr Amandeep Kaur

     11   Professor Brendan Kennedy                  35    Dr Yu Heng Lau

     12   Professor Cameron Kepert                   36    Professor Peter Lay

     13   Professor Chris Ling                       37    Dr Xuyu Liu

     14   Professor Thomas Maschmeyer                38    Associate Professor Chris
     15   Associate Professor Tony                         McErlean
          Masters                                    39    Dr Alice Motion
     16   Professor Barbara Messerle                 40    Associate Professor Liz New

     17   Associate Professor Siggi Schmid           41    Professor Richard Payne

Self-assembled nanomaterials                         42    Professor Lou Rendina

     19   Professor Phil Gale                        43    Professor Peter Rutledge

     20   Dr Toby Hudson                             44    Dr Mark White

     21   Dr Girish Lakhwani                         45    Dr Shelley Wickham

     22   Dr Markus Muellner
                                                Computational and theoretical, soft
     23   Associate Professor Chiara Neto
                                                matter, materials chemistry
     24   Dr Derrick Roberts
                                                     47    Professor Peter Harrowell
     25   Professor Greg Warr
     26   Dr Asaph Widmer-Cooper
                                                Chemical Education
Molecular innovations in health
                                                     49    Dr Stephen George-Williams
     28   Dr Samuel Banister
                                                      50   Dr Reyne Pullen
2020 HONOURS PROJECTS - School of Chemistry - The University of Sydney
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FUNCTIONAL ENERGY MATERIALS

Research areas
    •   Molecular/ionic transport through solids
    •   Large-scale energy storage and conversion
    •   Batteries, fuel cells, selective molecular storage/separation/remediation
    •   Metal-organic frameworks, ionic solids, polymers, ionic liquids

Functional energy materials researchers:
    •   Dr Hamid Arandiyan
    •   Associate Professor Deanna D’Alessandro
    •   Associate Professor Meredith Jordan
    •   Dr Ivan Kassal
    •   Professor Brendan Kennedy
    •   Professor Cameron Kepert
    •   Professor Chris Ling

    •   Professor Thomas Maschmeyer

    •   Associate Professor Tony Masters

    •   Professor Barbara Messerle
    •   Associate Professor Siggi Schmid
2020 HONOURS PROJECTS - School of Chemistry - The University of Sydney
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                                                               dr hamid arandiyan

                                                                                                           Room 201B
                                                                                                T: +61 2 9114 2199
                                                                        E: hamid.arandiyan@sydney.edu.au
                                                        W: https://sydney.edu.au/science/about/our-
                                                        people/academic-staff/hamid-arandiyan.html

My research focuses on the solutions     performance. This project aims to           Heterogeneous electrocatalysts
that aid sustainability through          investigate morphologic nanocatalysts       for the oxygen evolution reaction:
nano-materials design and catalytic      which are low cost and show excellent       Electrocatalytic water splitting,
process development. One of the          CO2 methanation efficiency. (See            involving a cathodic hydrogen
main objectives of our research          Chem Comm 2018, 54, 6484; Adv.              evolution reaction (HER) and an
is to investigate rational synthetic     Sustainable Syst. 2018, 2, 1700119;         anodic oxygen evolution reaction
strategies for nanocatalysts and to      ACS Appl Mater Interfaces. 2018,            (OER), is an established efficient
explore the applications of these        10, 24963). Supervisor: Dr Hamid            technology for hydrogen production.
nanomaterials in the energy and          Arandiyan.                                  However, to make the electrolyser
environmental sectors, such as                                                       practical both reactions require an
pollutant degradation, effective         Design of hierarchical nanoporous           efficient catalyst to accelerate the
energy usage, and emission control       materials for energy-related                reaction kinetics. It is particularly
in the transportation and industry       application: Ordered macro- and             important to develop good anode
applications.                            mesoporous materials, which arose in        catalysts for OER since it generally
                                         the early 1990s, are rapidly developing     requires high overpotentials that limit
                                         as an interdisciplinary research            the energy-efficiency of the process.
                                         focus. This kind of material is not         (See Nature Communications 2015,
Turn “waste” into wealth: CO2
                                         only defined by a large and uniform         6, 8253; Energy Environ. Sci. 2016, 9
methanation: The world is facing
                                         porosity, high regularity of nanopores      (1), 176-183). Supervisor: Dr Hamid
significant challenges, including
                                         and large surface area but it also          Arandiyan
the combination of a carbon-based
                                         enables a great deal of applications
energy system with the reality of
global warming. The hydrogenation        by the possibilities of functional
of CO2 waste gas to methane              and morphological control enabled
(closing a loop in carbon recycling)     by diverse chemical compositions.
provides an energy storage               A hierarchical porous material
solution for intermittent renewable      combines two or more types of pore
sources, which can be used as fuel       sizes (macro-, meso- and micro-)
or even as a renewable feedstock         as functional units that can meet
for bulk chemicals, thereby aiding       different application requirements.
sustainability. Although many efforts    For example, in a gas phase catalytic
have been made in relation to            reaction, hierarchical catalysts
catalytic CO2 methanation, effectively   could guarantee a good mass and
activating the thermodynamically         flow transfer as well as avoid the
stable CO2 molecule continues to         pressure drop, and at the same time
be an obstacle as it requires high       provide a large surface area for better     Please feel free to contact us to learn
temperatures and is an energy-           activity. Therefore, the investigation      more about these and other projects
intensive process. The impasse           of different types of hierarchical          availablle.
always present regarding catalysts for   nanoporous materials for energy-
energy conversion reactions is that      related applications is highly promising.
noble metals with promising activity     (See Nature Comm 2017, 8, 15553;
are limited by their high price and      Nano Energy 2016, 27, 515; ACS Catal.
scarcity, whereas base metals with       2016, 6, 6935). Supervisor: Dr Hamid
a lower price show more moderate         Arandiyan
2020 HONOURS PROJECTS - School of Chemistry - The University of Sydney
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                                                          associate professor
                                                          deanna d’alessandro

                                                                                                        Room 457/442
                                                                                                 T: +61 2 9351 3777
                                                                     E: deanna.dalessandro@sydney.edu.au
                                                          W: https://sydney.edu.au/science/about/our-
                                                       people/academic-staff/deanna-dalessandro.html

Our research spans the areas of            of highly porous MOFs and their           Multifunctional electronic and
inorganic chemistry and materials          integration into membranes for use        magnetic materials: The interplay
science and focuses on the                 in capture from major point sources       between electron delocalisation and
development of functional organic and      including coal-fired power plants and     magnetism is ubiquitous in chemical
inorganic materials that exhibit novel     natural gas wells. The goal of our        and physical systems (e.g., solid-state
electronic and optical phenomena.          research is to develop economically-      superconductors, spintronics devices)
Applications of our work range from        viable materials that can capture         and in metalloenzymes in nature;
the capture of greenhouse gases            and convert CO2 in a concerted            however experimental studies in
to address critical environmental
                                           process to reduce emissions to the        which these phenomena coexist are
challenges, to sensors, optoelectronics
                                           atmosphere and produce value-added        extremely rare. This project will involve
devices and photocatalysis for carbon
                                           products. Supervisor: A/Prof. Deanna      the development of metal complexes
dioxide conversion to fuels.
                                           D’Alessandro.                             and MOFs with coexisting magnetic
Conducting Metal-Organic                                                             and electronic functionalities. This
Frameworks (MOFs): The realisation         Photoswitchable MOFs: Recently,
                                                                                     project may be offered jointly with
of electronically conducting               methodologies for the postsynthetic
                                                                                     Profs Cameron Kepert or Peter
microporous materials is one of the        covalent functionalisation of MOFs
                                                                                     Lay. Supervisor: A/Prof. Deanna
most highly sought after (yet poorly       have opened up fascinating prospects
                                                                                     D’Alessandro.
developed) goals in the field. This        for building complexity into the pores.
project will involve the design and        This project will involve the synthesis   Please feel free to contact me to learn
synthesis of MOFs based on mixed-          of “photoswitchable molecular sieves”     more about these and other projects
valence metal clusters and redox-          in which light can be used to modulate    available.
active ligands which exhibit stable        the size and electrostatic properties
radical states that can be generated       of the pores. This project will also
using chemical, electrical or light        make steps towards the integration
as a stimulus. The opportunities for       of photoswitchable frameworks
advances at a fundamental and applied      into membranes for industrial scale
level are immense, with potential          processes. Supervisor: A/Prof.
applications ranging from new battery      Deanna D’Alessandro.
materials, to lightweight sensors, and
new materials for energy-efficient gas
separations. This project will also make
initial steps towards the integration
of conducting frameworks into solid-
state devices, and the theoretical
understanding of conduction in MOFs
(with Dr Ivan Kassal). Supervisor:
A/Prof. Deanna D’Alessandro.

Carbon dioxide capture and
conversion: The development of more
efficient processes for carbon dioxide
capture and conversion is considered
key to the reduction of greenhouse gas
emissions implicated in global warming.
This project will involve the synthesis
2020 HONOURS PROJECTS - School of Chemistry - The University of Sydney
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                                                            associate professor
                                                                meredith jordan

                                                                                                                 Room 544
                                                                                                  T: +61 2 9351 4420
                                                                            E: meredith.jordan@sydney.edu.au
                                                            W: https://sydney.edu.au/science/about/our-
                                                             people/academic-staff/meredith-jordan.html

We use theoretical and computational        3.   We have recently shown                Projects are available in (i) further
methods to examine the interactions              photochemically-induced               method development: working towards
within and between molecules in order            keto-enol isomerization of            new, accurate quantum methods
to understand and predict chemical               acetaldehyde is a significant         that can be used in large, chemically
reactivity and the relationship between          source of atmospheric formic          realistic systems, (ii) examining
structure and function. The key to               acid – it is the dominant source in   temperature and gas-loading
this understanding is an accurate                the marine boundary layer. We are     effects on adsorption and (iii) tuning
description of molecular potential               yet to determine how important        adsorption enthalpy by altering the
energy surface (PES). We have                    this mechanism is in other
                                                                                       nature of the MOF and/or designing
developed novel interpolation methods            atmospheric carbonyls.
and have used them to study reaction                                                   new materials for gas storage and/
dynamics as well as quantum effects         4.   Reaction and collisional              or separation. Supervisor: Associate
on structure and thermodynamics.                 stabilisation of very internally      Professor Meredith Jordan
                                                 “hot” atmospheric molecules, for
New mechanisms in atmospheric                                                          Molecular property surfaces: We
                                                 example, after absorption of solar
chemistry: The predictive value of               radiation, are complete unknowns.     have developed new methods to
atmospheric models improves with our             We propose new experiments and        describe molecular dipole moment
knowledge of the chemistry. As models            theory to investigate and quantify    and polarizability surfaces. These
become more and more accurate, it                these processes.                      surfaces, and the molecular PES,
becomes more difficult to challenge                                                    have been used to demonstrate that
their overall qualitative findings.         Honours projects are available to          the effects of both isotropic and
                                            address any or all of these challenges.    anisotropic external electric fields (an
There are many outstanding                  They involve collaboration with
challenges in atmospheric modelling                                                    electric field is a common model for a
                                            experiment as well as opportunities        molecule’s external environment) can
including:
                                            for inter-disciplinary atmospheric box
                                                                                       be approximated using a power series
1.   Only about half the observed H2        and chemical transport modelling.
                                                                                       expansion.
     can be accounted for by current        Supervisors: Associate Professor
     atmospheric models. Given the          Meredith Jordan and Professor Scott        Electric fields are extremely important
     increasing use of H2 as a fuel, this   Kable (UNSW – Experiment).                 in biology and can change chemical
     is a significant shortcoming that                                                 structure and catalyse reactions. This
                                            New methods to study gas
     needs to be urgently addressed.                                                   project investigates the electric fields
                                            adsorption in porous crystals: We
     We have demonstrated a new                                                        associated with the protein binding
                                            have developed both reduced-
     photochemical source of H2                                                        sites of neurotransmitter molecules.
                                            and full-dimensional models of H2
     although the mechanism and its                                                    By making a model of the local electric
                                            physisorption in metallo-organic
     ubiquity are yet to be determined.
                                            framework materials (such as MOF-          field, you will be able to investigate its
2.   In pristine environments there         5) or carbon-based materials. Using        effects on both endogenous ligands
     is a significant shortfall (by         Quantum diffusion Monte Carlo              and potential drug molecules and work
     over an order of magnitude) in         (QDMC) and Path Integral Monte             towards general, transferable models
     predicted concentrations of OH         Carlo (PIMC) simulations we can now        for other applications. Supervisor:
     and HO2 radicals, two of the           determine the quantum character            Associate Professor Meredith Jordan
     most important radicals in the         as well as quantum thermodynamic
     atmosphere. We have postulated         properties of adsorbed H2. These           Please feel free to contact me to learn
     novel atmospheric reactions that       techniques are also applicable to other    more about these and other projects
     may produce OH and HO2.                adsorbates, e.g. CO2 and CH4.              available.
2020 HONOURS PROJECTS - School of Chemistry - The University of Sydney
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                                                                                     dr ivan kassal

                                                                                                               Room 543A
                                                                                                  T: +61 2 8627 5883
                                                                                      E: ivan.kassal@sydney.edu.au
                                                             W: https://sydney.edu.au/science/about/our-
                                                                  people/academic-staff/ivan-kassal.html

We are developing cutting-edge              lighting, organic photovoltaics (OPVs)      computers could solve a wide range of
theoretical tools—including                 that promise truly green energy,            chemical problems much faster than
quantum computing—to better                 and organic field-effect transistors        conventional computers. Today,
understand fundamental chemical             (OFETs) for general-purpose flexible        chemistry is seen as a killer app for
processes and to design superior            electronics. Despite their successes,       quantum computers, with chemical
devices, especially solar cells. A          many elementary processes in these          applications targeted by all the major
particular focus in our group are           materials are poorly understood. This       quantum computing companies. This
energy and charge transport, which          project will develop new theories to        project is part of a large effort, with
underpin photosynthesis, solar cells,       describe charge and energy motion in        the group of Prof. Michael Biercuk in
combustion, corrosion, batteries, and       organic electronics, especially OPVs,       the School of Physics, to demonstrate
molecular electronics. Although the         so that rational design can replace         the first simulation of a chemical
projects below range from pencil-and-       the current trial-and-error approach.       reaction on a working quantum
paper theory to computer simulations,       A particular focus will be on relating      computer, in particular one based on
no computer programming experience          device performance to the intrinsic         trapped atomic ions. The questions we
is necessary.                               molecular disorder. A project involving     will be answering include: What is the
                                            extensive device-level simulations or       best way to map a chemical reaction
                                            experiments is possible, co-supervised      onto a quantum simulator? Can we
CHARGE AND ENERGY TRANSPORT                 with Dr. Girish Lakhwani.                   exploit the motion of the trapped ions
                                                                                        to mimic the motion of nuclei during
Delocalised charge transport: The           Engineering quantum light
                                                                                        a chemical reaction? What control
transfer of charges (or excitation          harvesting: Predictions that quantum
                                                                                        protocols are needed to ensure a
energy) from one molecule to                coherence can dramatically affect
                                                                                        faithful simulation? This project can
another—perhaps the simplest                light-harvesting efficiency have never
                                                                                        be co-supervised with Prof. Michael
chemical reaction—is a fundamentally        been tested experimentally because
                                                                                        Biercuk, or undertaken by students
quantum process. However, a                 no one has found a way to turn
                                            coherence on and off to see whether         pursuing a degree in physics.
fully quantum treatment of charge
transport in most disordered                the efficiency changes. This project        We’re a new group with lots of ideas,
materials—including most biological         will design the simplest possible
                                                                                        many not listed here. Drop us a line to
and chemical systems—can be                 light-harvesting devices in which
                                                                                        see what else we’re up to!
computationally prohibitive. As a result,   coherence-enhanced light harvesting
many models use purely classical            can be demonstrated. In collaboration
concepts, such as molecule-to-              with experimentalists, the goal is to
molecule charge hopping, which can          demonstrate the first instance of
fail spectacularly, especially when the     quantum control in an engineered
                                                                                                                   Kassal Group 2017
charges are delocalised over multiple       light-harvesting complex.
molecules due to quantum effects.
This project will develop fundamental
new theories to treat the transport         QUANTUM COMPUTERS FOR
of delocalised charge with reasonable       CHEMISTRY
computational cost.
                                            Simulating chemical reactions on
Theory of organic electronics:              quantum computers: We are at
Organic semiconductors can be               the forefront of applying quantum
made into organic light emitting            computation to problems in chemistry,
diodes (OLEDs) for displays and             having shown that quantum
2020 HONOURS PROJECTS - School of Chemistry - The University of Sydney
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                                                                            professor
                                                                       brendan kennedy

                                                                                                               Room 458
                                                                                                 T: +61 2 9351 2742
                                                                         E: brendan.kennedy@sydney.edu.au
                                                          W: https://sydney.edu.au/science/about/our-
                                                          people/academic-staff/brendan-kennedy.html

Our research focuses on the unique         Structural and electronic properties       processes in Titan’s atmosphere are
properties of transition metals that       of 4d and 5d oxides: This project          driven by solar radiation and energy
arise as a consequence of their            will build on our discovery of an          from Saturn’s magnetosphere.
partially filled d-shells. Many of these   unexpected high magnetic phase             Under these processes, nitrogen and
have unpaired electrons giving rise        transition temperature in SrTcO3 and       methane dissociate into radicals and
to magnetism and variable oxidation        CaTcO3. The work will explore the solid    then recombine, generating organic
states. The projects all involve a         state chemistry of 4d and 5d metals        molecules that range from simple
mixture of synthesis, diffraction          isostructural with Tc(IV), especially      (ethane, acetylene and hydrogen
often centred on the use of major          Ru(V) and Os(V) to establish               cyanide) to more complex molecules. It
facilities (neutron and synchrotron)       the role this has in the unusual           is these that make up the surface, but
and computational/theory work. The         magnetic properties of SrTcO 3. We         very few of the molecules calculated
balance depends on the project and         aim to prepare a number of double          to exist on Titan have been fully
the student.                               perovskites of the type A 2MLnO 6 M        characterised in their solid state. Using
                                           = Ru or Os, Ln = La or Y. We have          the facilities at Sydney Uni and ANSTO
Energy, pyrochlores and perovskites:
                                           developed world leading expertise in       this project seeks to understand
Energy security is one of the major
                                           the analysis of L-edge X-ray absorption    exactly what the materials on Titan
challenges of the 21st century with
                                           spectra of such oxides and a unique        could be.
both fuel cells and nuclear power being
                                           feature of this project will be to
promoted. The binary oxide Gd2Zr 2O7
                                           exploit this to understand the unique      Crystallographic studies of structural
is currently of interest in both areas,
                                           properties of these oxides. A second       phase transitions: This is my hobby,
being studied for use as an electrolyte
                                           part of this project focuses on the        exploring the details of structural
solid oxide fuel cells which requires
                                           importance of spin-orbit coupling          phase transitions and in particular
high ionic conductivity and as a host
                                           in Ir containing oxides. This aims to      understanding the coupling between
for immobilisation of radioactive waste
                                           build on the observation of unusual        orbital, magnetic and structural
which required no diffusion of cations.
                                           magnetostriction in Ba3BiIr 2O9 and        degrees of freedom. Whist the oxides
This project aims at understanding
                                           will explore both the role of spin-orbit   find applications in magnetic devices
this apparent contradiction in
                                           coupling of the Ir cations and the         this project focus on the fundamental
properties. Our proposal is that
                                           potential for electron transfer between    crystallography. This project aims to
anion disorder occurs independently
                                           the Bi and Ir cation.                      prepare and structurally characterize
cation disorder and we are now keen
to fully understand this process                                                      Mn containing oxides of the type
                                           What are the minerals on Saturn’s
and to extend our observations to                                                     Sr 1-xLnxMnO3 and will also explore
                                           moon Titan? In collaboration with
other pyrochlore type oxides such as                                                  the structures of the analogous Co
                                           Dr Helen Maynard-Casely, ANSTO:
Ln 2TiO5. A third aspect of this work is                                              containing materials.
                                           The Cassini spacecraft has revealed
to examine the structural stability of     Saturn’s largest moon Titan to be a
the key component of perovskite solar                                                 Please feel free to contact me to learn
                                           diverse world, with geological features    more about these and other projects
cells, the layered halide perovskites
                                           that are astonishingly similar to those    available.
APbI3. This project aims to establish
                                           found on our own world. With vast
the role the Pb2+ lone pair electrons
                                           seas and lakes, sweeping dunes and
play in their exceptional photovoltaic
                                           dendritic channels, the evidence is
response.
                                           mounting that the landscape of Titan
                                           has been shaped by both fluvial and
                                           pluvial processes. But what are the
                                           surface materials? Photochemical
2020 HONOURS PROJECTS - School of Chemistry - The University of Sydney
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                                                                               professor
                                                                           cameron kepert
                                                                                                              Room 308
                                                                                                 T: +61 2 9351 5741
                                                                             E: cameron.kepert@sydney.edu.au
                                                             W: https://sydney.edu.au/science/about/our-
                                                             people/academic-staff/cameron-kepert.html

Six projects are available, with points     aims are towards understanding            address the safe and efficient storage
of focus spanning a broad range of          the structural features that lead to      of hydrogen gas – one of the principal
topics and techniques.                      nanoporosity and, more fundamentally,     current challenges in this area –
                                            how molecular hosts respond to the        through the use of nanoporous phases
Electronic switching: This                  presence of guests (and vice versa).
project involves the synthesis and                                                    designed to have high surface areas
                                            Supervisor: Professor Cameron
characterisation of nanoporous                                                        and functionalised chemical surfaces.
                                            Kepert.
molecular hosts that switch                                                           Supervisor: Professor Cameron
electronically due to the presence of       Nanoporous chiral frameworks:             Kepert.
spin centres within their frameworks.       The recent discovery of molecular
In generating the first materials of this   materials that are both nanoporous        Redox-active molecular frameworks:
type, we have recently discovered           and homochiral paves the                  This project will involve the use of
a wide range of completely new              way for unique approaches to              redox-active species to construct
materials properties in which the           enantioseparations. This project          nanoporous framework materials
switching and host-guest behaviours         extends this important discovery          with novel electronic and magnetic
are linked. The global vision of this       by investigating the synthesis and        properties. Particular aims of
work is the generation of materials for     guest-exchange chemistry of new           the project are the synthesis of
device-application where switching          chiral materials. Experiments into        nanoporous magnets and electrically
acts as a mechanism for data storage,       the selectivity of these processes        conducting nanoporous materials.
sensing, molecular recognition and          will be fundamental in evaluating
                                                                                      This project is in collaboration
molecular control. Supervisor:              the suitability of the materials for
Professor Cameron Kepert.                                                             with Associate Professor Deanna
                                            commercial application. Supervisor:
                                            Professor Cameron Kepert                  D’Alessandro. Supervisor: Professor
Negative thermal expansion                                                            Cameron Kepert.
(NTE): The decrease of crystal              Hydrogen storage: In the proposed
lattice dimensions with increasing          Hydrogen Economy, hydrogen gas            Please feel free to contact me to learn
temperature (NTE) is a potentially          replaces fossil fuels at the centre of    more about these and other projects
useful property that has been               a clean energy cycle. This project will   available.
observed only very rarely. This project
will involve the use of X-ray and
neutron diffraction to characterise
the effect in selected framework
materials. Chemical modification
by doping will be investigated in an
attempt to develop crystals displaying
zero thermal expansion. Supervisor:
Professor Cameron Kepert.

Guest desorption and adsorption:
Nanoporous molecular framework
materials have recently been shown
to remain crystalline following guest
desorption. In this project, single
crystal X-ray diffraction will be used
to characterise both the removal
and re-introduction of guest species
within molecular host lattices. Primary
13
                                                             professor chris ling

                                                                                                                   Room 455
                                                                                                    T: +61 2 9351 4780
                                                                               E: christopher.ling@sydney.edu.au
                                                                   W: https://sydney.edu.au/science/about/
                                                                   our-people/academic-staff/chris-ling.html

The goal of our research is the              degrades performance. This project           energy and dynamics calculations.
discovery, characterisation and              seeks to understand how this works,          Supervisor: Professor Chris Ling.
optimisation of functional solid-state       and use the understanding to develop
materials. We take a “crystal chemical”      new materials. It will involve high-         Using high-pressure to shorten and
approach whereby we relate the               temperature synthesis, growing large         strengthen metal-metal bonding:
crystal structure of a material to its       (cm-scale) single crystals, neutron          Negative thermal expansion (NTE),
chemical composition on the one hand,        scattering and computational dynamics        where volume expands on cooling, can
and to its physical properties on the        simulations. Supervisor: Professor           arise through a range of mechanisms.
other, in order to guide the design          Chris Ling.                                  Ba3BiIr 2O9, which we recently
and synthesis of improved materials.                                                      discovered, is a new case that works
Honours projects almost always               Naturally layered multiferroics:             due to direct Ir–Ir bonding. The goal
involve neutron and/or synchrotron           combining properties on an atomic            of this project in to synthesise new
X-ray scattering experiments, as well        scale: Multiferroics exhibit both            first-row transition metal oxides
as complementary techniques such             ferroelectricity (electrical polarisation)   with analogous M–M bonding and
as electron microscopy and ab initio         and ferromagnetism (spin polarisation).      magnetostructural effects. It will use
calculations of atomic structure,            They have important applications as          high-pressure/high-temperature
dynamics and electronic properties.          sensors, actuators and – potentially –       synthesis to stabilise these unusual
                                             next-generation data storage media.          structural forms, and low-temperature
Surprising and (potentially) useful          This project will use naturally layered      (down to 0.1 K) physical property and
magnetism in lithium-ion battery             ferroelectrics as “templates” into           neutron scattering studies. Supervisor:
materials: Despite the huge amount           which we substitute atomic layers            Professor Chris Ling.
of research effort on lithium-ion            of magnetic cations. It will involve:
battery materials, almost no work has        controlled-atmosphere reactions              Structured polymer hybrids for better
been done on their low-temperature           at high temperatures; neutron and            batteries and photovoltaics: Many
magnetic properties. These are not           synchrotron diffraction; and magnetic/       functional properties depend critically
only a “gold mine” of fundamentally          electronic property measurements             on effective surface area. This project
interesting research, but a promising        down to 0.1 K. Supervisor: Professor         will use a new polymer-hybrid method
means of characterising the Li content       Chris Ling.                                  to synthesise nanostructured materials
at any point in the charge-discharge                                                      for solid-state batteries and solar
cycle. This project will involve synthesis   Novel hydrated oxides for mixed              cells, with very high surface areas
and post-synthetic modification              ionic-electronic conduction: Mixed           and efficient internal topologies. It will
(e.g., ion-exchange), magnetic               ionic-electronic conduction (MIEC) is        involve synthesis, characterisation on
measurements, neutron diffraction,           a rare property required for fuel-cell       length scales from the atomic (X-ray
and building and testing batteries.          electrodes. We recently discovered a         and neutron diffraction) through the
Supervisor: Professor Chris Ling.            number of new MIEC oxides following          nano (electron microscopy) to the bulk
                                             the key breakthrough of growing              (BET isotherms), and constructing
Stabilising the fastest of fast-ion          cm-sized single crystals in our floating-    batteries and solar cells to test under
conductors: Bismuth oxide is the             zone furnace (FZF). This project will        real working conditions. Supervisors:
best oxide ionic conductor known,            investigate new barium-based oxides          Professor Chris Ling and Dr Markus
but the relevant polymorph is only           predicted to show MIEC, with FZF             Muellner.
stable above 750°C. This can be fixed        crystal-growth as a centrepiece.
by “doping” with transition metals.          We will use the crystals for physical        Please feel free to contact me to learn
However, the dopants also give rise to       property and neutron scattering              more about these and other projects
complex local oxide ordering, which          experiments, supported by ab initio          available.
14
                                                                     professor
                                                             thomas maschmeyer
                                                                                                               Room 303
                                                                                                  T: +61 2 9351 2581
                                                                     E: thomas.maschmeyer@sydney.edu.au
                                                                 W: https://sydney.edu.au/science/about/
                                                                      our-people/academic-staff/thomas-
                                                                                        maschmeyer.html

Our research aims to enhance               hydrogen and oxygen gas- of which           of (waste) lignin to useful aromatic
sustainability by generating and using     complement each other, the project          chemicals. Potential research avenues
new fundamental insights on the            aims to deliver higher performing           involve the use of the synthesised
molecular and nanoscopic level to          materials at a lower cost than can be       catalysts with supercritical solvents
develop feasible leads for the design      achieved by conventional top-down           (high-pressure chemistry in batch
of new catalytic chemical routes and       modification. The goal of this project      reactors) or as novel electrode
processes. For us to even approach a       is to use fundamental insights from         materials for electrochemical
“sustainable” existence, such that the     defect engineering and rational             hydrodeoxygenation. Analyses of
ecosphere exists in a “steady state”       crystal-chemical design to synthesise       model systems using low molecular
able to support our current lifestyle, a   new materials from complementary            weight biomolecules (alcohols,
4- to 10-fold increase in the resource     components that exhibit the desired         ketones, sugars, etc) will also be used
efficiency of existing production          properties, thereby yielding more           to elucidate reaction pathways and
processes is necessary. Our group          effective overall solar photocatalytic      evaluate and catalytic performance.
offers the following projects around       water splitting catalysts. This project     This project may be offered jointly
this theme.                                may be offered jointly with Prof            with A/Prof Tony Masters and Dr
                                           Brendan Kennedy or A/Prof Chris             Alex Yuen. Supervisor: Prof Thomas
Next-generation composite                  Ling. Supervisor: Prof Thomas               Maschmeyer.
photocatalysts for solar energy            Maschmeyer.
capture: This project aims to prepare                                                  State of the art magnesium
new photocatalysts that capture            Biomass waste for a renewable               batteries: This project aims to build
and convert solar energy to stored         future: The Chemical Industry is            a safe, scalable as well as high power
energy by directly splitting water into    highly reliant on aromatic chemicals        and energy density magnesium
oxygen and hydrogen, a perfectly           for the production of plastics, textiles,   battery with potentially twice the
clean and renewable fuel. The project      pharmaceuticals and agrochemicals,          energy density of the current best
will use a “bottom-up” nanoscale           etc. These are currently sourced            commercial batteries. By harnessing
approach, in which compounds (such         from dwindling fossil reserves.             the power of self-assembly and using
as perovskites and transition metal        Lignocellulosic (woody) biomass             mechano-chemical syntheses, novel
nitrides) with different chemical          is the largest source of renewable          battery materials will be prepared
and electronic properties, but with        aromatic species in the form of lignin:     and used for the fabrication of
compatible crystal structures in at        the aromatic polymer component of           electrodes. In conjunction, safer and
least one dimension, are assembled         wood that is responsible for a large        better performing non-Grignard-
in a single synthetic step to form a       portion of its structural strength and      based electrolytes will be prepared.
well-ordered composite. By making          durability. This project will synthesize    Testing and optimisation of these
composites of compounds the band           non-precious metal carbide and              new and integrated materials in coin
gaps - crucial to capturing light -        nitride composite catalysts for the         cell assemblies will then form the
and surfaces -crucial to evolving          reductive conversion and upgrading          basis of fundamental studies into
                                                                                       the way these batteries operate
                                                                                       and direct optimisation studies to
                                                                                       improve Mg-battery performance.
                                                                                       This project may be offered jointly
                                                                                       with A/Prof Tony Masters and Dr
                                                                                       Alex Yuen. Supervisor: Prof Thomas
                                                                                       Maschmeyer.

                                                                                       Please feel free to contact me to learn
                                                                                       more about these and other projects
                                                                                       available.
15
                                                          associate professor
                                                                 tony masters

                                                                                                            Room 459
                                                                                              T: +61 2 9351 5565
                                                                        E: anthony.masters@sydney.edu.au

Our research is aimed at increasing       conversion of renewable resources         enormous amount of study, but has
resource efficiency of existing           including lignocellulosic and algal       found only a few niche applications,
processes and the invention of            biomass to value-added products           although it can have a remarkably
novel catalysts for industrial            such as specialty chemicals, high         wide electro-chemical window.
chemical transformations. For             value monomers or pharmaceutical          Stable, cheap, long life batteries
example, fundamental studies              precursors. This project may be           and super-capacitors are the key
of workhorse reactions, such as           offered jointly with Prof Thomas          to the roll-out of renewable energy
catalytic hydrogenations and              Maschmeyer and Dr Alex Yuen.              technologies, such as those based
improved catalysts for hydrocarbon        Supervisor: A/Prof Anthony Masters.       on intermittent resources like solar
oxidations. In the energy sphere, we                                                and wind. Building on our extensive
                                          A functional model of the NiFe
are developing magnesium batteries                                                  expertise in metallocene synthesis
                                          hydrogenase: Hydrogen is perhaps
and hydrogenase mimics for hydrogen                                                 and in collaboration with industry,
                                          one of the earth’s oldest energy
production.                                                                         This project will involve the synthesis
                                          sources, providing the energy for
                                                                                    of novel ferrocene derivatives,
                                          some of the first microorganisms
                                                                                    their incorporation into half cells
                                          associated with the evolution of life.
                                                                                    and batteries and evaluation of their
Cobalt catalysed conversions of           Today, the catalytic hydrogenations
                                                                                    performance as part of the new
renewable resources: The selective        of fossil feedstocks, of nitrogen, and
                                                                                    generation of energy storage devices.
oxidation of hydrocarbons to alcohols,    of commodity and fine chemicals
                                                                                    This project may be offered jointly with
ketones and carboxylic acids is           (including asymmetric hydrogenations)
                                                                                    Prof Thomas Maschmeyer and Dr Alex
the largest industrial application of     are the highest volume industrial
                                                                                    Yuen. Supervisor: A/Prof Anthony
homogeneous (soluble) catalysts.          processes. In future, in addition to
                                                                                    Masters.
The reaction is catalysed by cobalt       these chemical applications, hydrogen
complexes, frequently cobalt acetate      is again expected to provide energy
derivatives. Although “cobalt acetate”    for humankind on a large scale.
was reported about 200 years ago,         Presently, the H2/H+ interconversions
it’s structure is still incompletely      and industrial hydrogenations are
understood – a variety of dimers,         commonly catalysed by expensive
trimers, tetramers, octamers, etc.,       metals, possibly unsuitable for large-
has been isolated from cobalt acetate     scale (particularly distributed) use in
and structurally characterised,           the provision of energy. By contrast,
however, they also interconvert in        the hydrogenase enzymes operate
solution. This project examines the       more efficiently using iron and nickel
use of these catalysts in the selective   at their active sites. This project is
                                          targeted at the syntheses of functional
                                          models of bio-inspired catalysts, able
                                          to interconvert H2 and protons. This
                                          project may be offered jointly with
                                          Prof Thomas Maschmeyer and Dr Alex
                                          Yuen. Supervisor: A/Prof Anthony
                                          Masters.

                                          Ferrocene-based Battery–
                                          Supercapacitor hybrids: Ferrocene,
                                          the archetypical metallocene, was first   Please feel free to contact me to learn
                                          reported in 1951. Since its discovery,    more about these and other projects
                                          ferrocene has been the subject of an      available.
16
                                                                                   professor
                                                                             Barbara messerle
                                                                                                                        Room 402
                                                                                                         T: +61 2 8627 9628
                                                                                  E: barbara.messerle@sydney.edu.au
                                                         W: https://sydney.edu.au/science/about/our-people/
                                                                       academic-staff/barbara-messerle.html

Work in the Messerle group is focused          not straight-forward, and the enhance-        surface (e.g. long chains). Modified linker
on designing organometallic catalysts          ment can be significantly greater than        chains have a great potential to make our
that improve the reaction efficiency of        predicted. Our work is concentrated on        surface bound hybrid catalysts more ef-
organic transformations, thereby saving        investigating the individual design effects   fective, but also to help us to understand
energy and decreasing waste produced           to understand the factors that provide the    surface effects. These novel hybrid cata-
during industrial chemical processes.          optimum beneficial cooperative effects.       lysts will be characterized using surface
Our multidisciplinary approach combines        Supervisors: Professor Barbara Messerle,      analytical techniques and finally used in a
synthetic chemistry with surface science       Dr Indrek Pernik.                             range of organic transformations. Super-
and nanotechnology. The work involves                                                        visors: Professor Barbara Messerle and Dr
the development of novel transition metal      Bifunctional photo- and transition metal      Max Roemer.
                                               catalysts: When two different metals
complexes, as well as designing new
                                               are used in the multi-metallic complexes,
catalysis methodologies using bifunctional
                                               access to novel reactions can be gained,
catalysts targeting multistep reactions.
                                               as each metal brings unique properties
The development of these catalysts stems
                                               to the complex. Additionally, if one of
from fundamental design concepts and
                                               these metals results in the formation of a
encompasses both, mono- and multi-
                                               photo-active species, the new bifunctional
metallic complexes. The development of
                                               photocatalyst can be utilised in sequential
surface-bound (hybrid) transition metal
                                               reactions or in switchable reactions where
allows us to access catalysts that are vi-
                                               reaction selectivity is controlled by ap-
able for industrial use, where recyclability
                                               plying either thermal or photochemical
makes them highly relevant to the design
                                               stimuli. Supervisors: Professor Barbara
of greener chemical processes.
                                               Messerle, Dr Indrek Pernik and Dr Sinead
Multi-metallic catalysts for enhanced          Keaveney (MQ).
reactivity: Our pursuit of more efficient
                                               New applications for surface bound
catalysts involves developing novel ligands
                                               (hybrid) rhodium and iridium catalysts:       In addition to the projects described
that act as a scaffold around the transition
                                               To develop industrially useful recyclable     above, we are working on a variety of
metal (TM) to tailor the metal’s reactiv-
                                               catalysts, we graft successful TM cata-       research topics such as the use of para-
ity. One of our approaches for accessing
                                               lysts onto carbon surfaces to form hybrid     hydrogen and reduction of CO2 gas.
efficient catalysts is by designing these      catalysts. Once synthesized, the hybrid
scaffolds so that they can host two metals     species are tested as catalysts for a vari-   Techniques: These projects include or-
simultaneously. Having two metals in close     ety of catalytic applications using organic   ganic and organometallic syntheses using
proximity to each-other (ca. 3.5 Å), has       substrates. Supervisors: Professor Bar-       standard and air-free techniques under
been shown to significantly improve the        bara Messerle and Dr Max Roemer.              inert gas using gloves boxes and Schlenk
catalytic activity. However, in many cases                                                   lines. Compound characterisation and
the reasons for this enhancement are                                                         catalysis requires a broad suite of analyti-
                                                                                             cal techniques such as such as NMR- and
                                                                                             IR-spectroscopy, mass spectrometry,
                                                                                             X-ray single crystal diffraction and electro-
                                                                                             chemistry. The projects involving hybrid
                                                                                             catalysts will additionally utilize surface
                                                                                             characterisation methods like XPS and
                                                                                             SEM/EDX.

                                                                                             Please feel free to contact Barbara to
                                               Novel mono- and multimetallic hybrid          learn more about our projects and pos-
                                               catalysts: To further understand the dif-     sible research opportunities. Please note
                                               ferent effects arising from grafting the TM   that detailed knowledge of the involved
                                               complexes to surfaces, we develop dif-        chemistry and techniques is not required
                                               ferent linkers between the metal and the      beforehand.
17
                                                               associate professor
                                                                   siegbert schmid
                                                                                                                      Room 315
                                                                                                       T: +61 2 9351 4196
                                                                                E: siegbert.schmid@sydney.edu.au
                                                                      W: https://sydney.edu.au/science/about/
                                                                           our-people/academic-staff/siegbert-
                                                                                                  schmid.html

Research in my group focuses primar-          1.   Rapid lithium insertion and loca-       are still perfectly long-range ordered.
ily on developing novel and improved               tion of mobile lithium in the defect    The full potential of these systems in
ceramic materials for use in a range of            perovskite Li2ySr 1 x-yTi1 2xNb2xO3.    terms of their applications remains
technological applications. Chemistry              DOI: 10.1002/cphc.201200017             to be explored. We have successfully
Education research projects are de-                                                        investigated a number of systems over
signed to improve our understanding of        2.   Designing a simple electrochemi-        recent years involving lead-free piezo-
how we best support student learning.              cal cell for in-situ fundamental        electric ceramics as well as a family of
                                                   structural analysis. DOI: 10.1016/j.    transition metal borates with non-linear
Sustainable energy storage: Re-                    jpowsour.2013.03.086                    optical properties. The proposed proj-
chargeable lithium ion batteries are          3.   Sodium uptake in cell construction      ects encompass a wide range of both
widely used in portable electronics and            and subsequent in operando elec-        synthetic chemistry and characterisa-
start making an impact in hybrid and               trode behaviour of Prussian blue        tion techniques, in particular X-ray and
electric vehicles. In order to employ              analogues, Fe[Fe(CN)6]1-x.yH2O          neutron powder and single-crystal dif-
rechargeable battery technology in                 and FeCo(CN)6. DOI: 10.1039/            fraction as well as electron microscopy
cars on a large scale battery perfor-              C4CP02676D                              using in-house equipment as well as
mance, safety and lifetime need to be
                                              4.   In situ neutron powder diffraction      instrumentation at major national and
improved and research to that end is
                                                   using custom made lithium-ion           overseas research facilities.
carried out on a massive scale. Fur-
thermore, producing energy through                 batteries. DOI: 10.3791/52284
                                                                                           1.   Modulated structures in the
sustainable means requires cheap and          5.   Co-ordination site disorder in spi-          Ta2O5-Al2O3 system. DOI: 10.1071/
efficient storage to maximise the ben-             nel-type LiMnTiO 4. DOI: 10.1021/            CH12080
efits. Compounds that can reversibly               ic502747p
                                                                                           2.   A (3+3)-dimensional “hypercubic”
insert lithium have potential to be used      Colourful chemistry: Many colourful               oxide-ionic conductor: Type II
in rechargeable lithium ion batteries.        pigments that are still in use contain            Bi2O3–Nb2O5. DOI: 10.1021/
We have a current program that looks          toxic heavy metals (e.g. PbCrO 4). The            ja3109328
at a range of suitable compounds from         search for benign replacements has
defect perosvskites to spinels and                                                         3.   Structural investigation of
                                              been successful for yellow pigments
olivine type structures. Two charac-                                                            tungsten bronze type re-
                                              but not so much for the orange-red
teristics, the availability of interstitial                                                     laxor ferroelectrics in the BaxSr3-
                                              part of the spectrum. Metal nitrides
or defect sites for the incorporation of                                                         TiNb 4O15 system. DOI: 10.1017/
                                              and oxynitrides are often coloured and            x
lithium and the presence of redox ac-         some already form the basis for new               S0885715614000980
tive cations are essential for potential      pigments. Synthesising and analysing         Supervisor: Associate Professor Siggi
candidates. This project’s aim is to          a range of new mixed metal nitrides          Schmid.
synthesise a number of target com-            and oxynitrides from suitable oxides,
pounds and to examine their chemical          this project endeavours to develop new
reactions with lithium as well as their       coloured materials suitable as pigments
chemical and electrochemical lithium          in a range of everyday applications.
intercalation behaviour. The structures       Supervisor: Associate Professor Siggi
of all products will be examined using        Schmid.
X-ray and neutron diffraction at both
national and overseas facilities. This        Modulations and other challenges:
project is in collaboration with Profes-      Modulated structures constitute an in-       Please feel free to contact me to learn
sor A. Kuhn, Madrid. Supervisor: As-          triguing class of materials that lack lat-   more about these and other projects
sociate Professor Siggi Schmid.               tice periodicity (i.e. 3-D order) and yet    available.
18

self-assembled nanomaterials

Research areas
     •     Nanoscale interactions in materials and interfaces
     •     “Smart” energy-efficient materials
     •     Molecular assembly in complex fluids and at interfaces
     •     Nanostructured functional surfaces, polymer nanoparticles and nano-systems

Self-assembled nanomaterials researchers:
     •   Professor Phil Gale
     •   Dr Toby Hudson
     •   Dr Girish Lakhwani
     •   Dr Markus Muellner
     •   Associate Professor Chiara Neto
     •   Dr Derrick Roberts
     •   Professor Greg Warr
     •   Dr Mark White
     •   Dr Asaph Widmer-Cooper
19
                                                              professor Phil gale

                                                                                                              Room 209D
                                                                                                   T: +61 2 9351 4813
                                                                                      E: philip.gale@sydney.edu.au
                                                                 W: https://sydney.edu.au/science/about/
                                                                our-people/academic-staff/philip-gale.html

Work in the Gale group on molecular         homeostasis and induce cell death          assays performed in lipid bilayer
recognition involves the design and         (apoptosis), hence these drug-like         models. Supervisor: Professor Philip
synthesis of smart molecules for use        molecules have been conceived as           Gale.
as receptors, transporters or sensors       potential anti-cancer agents. More
for ionic (in our group frequently          recently, a direct correlation between     Chemical uncouplers based on fatty
anionic) or neutral species. Design         the cytotoxicity and increased             acid flip-flop: Uncoupling proteins
is at the heart of our work – we            intracellular chloride concentration       present in the mitochondria inner
are frequently inspired by biological       mediated by synthetic anion                membrane dissipate the energy of
systems (but not limited by them), and      transporters was established (see          oxidative phosphorylation into heat
we ultimately design and make new           Nat. Chem. 2014, 6, 885-892 and            bypassing ATP synthesis. They
molecules to explore a wide range of        Nat. Chem. 2017, 9, 667-675). In this      are important in the regulation of
molecular geometries and functional         project, new synthetic ionophores will     mitochondria membrane potential,
groups.                                     be developed for targeted organelle        fatty acid metabolism and the level of
                                            ion transport properties to gain new       reactive oxygen species (ROS). Small
Electrogenic chloride selective             insight into cellular processes induced    molecule anion receptors can mimic
transporters for cystic fibrosis            by the ionophores. The targeting           their function by assisting the flip-
treatment: The development of small-        strategy is to exploit the specificity     flop of fatty acid anions across lipid
molecule synthetic transmembrane            of pH and/or membrane composition          bilayers allowing protons to permeate
anion transporters for potential future     in each organelles. Supervisor:            through the membrane. This project
use in channel replacement therapy          Professor Philip Gale.                     aims to develop highly carboxylate-
for the treatment of diseases caused                                                   selective anion receptors that can
by dysregulation of anion transport         Stimuli-responsive anions                  perform the fatty acid-dependent
such as cystic fibrosis (CF), and in        transporters for active cancer             uncoupling function without the side
treating cancer by perturbing chemical      targeting: Synthetic small molecules       effect of facilitating chloride transport.
gradients within cells, thus triggering     that can carry chloride, bicarbonate or    You will synthesise anion receptors
apoptosis, is an area of intense current    HCl across lipid bilayers are promising    and study their anion binding affinity
interest. CF is a recessive genetic         anticancer drugs because they can          and membrane transport selectivity.
condition caused by dysregulation           perturb ionic and/or pH gradients          Compounds with desired transport
of anion transport through the              in cells. Toxicity to normal cells is a    properties will be sent to collaborators
CFTR anion channel in epithelial cell       major concern for their therapeutic        for mitochondrial uncoupling studies,
membranes. Chloride flux through            applications. In this project, you         to further explore potential application
the CFTR channel is impaired in CF,         will design and synthesise anion           as anti-obesity or anti-aging drugs.
resulting in chronic lung disease in        transporters that can target cancer        Supervisor: Professor Philip Gale.
most CF patients. In this project,          cells and minimise toxicity towards
we will build on our work (see Chem         normal cells. Compounds contain a          Please feel free to contact me to learn
2016, 1, 127-146) to develop synthetic      cleavable linkage will be designed that    more about these and other projects
transporters with better chloride           are originally inactive but undergo        available.
selectivity (over H+/OH-) in a biological   chemical transformation and become
relevant liposomal model. Supervisor:       activated by cancer makers or cancer-
Professor Philip Gale.                      specific environmental to facilitate
                                            anion transport in cancer cells. The
Intracellular organelle-specific            project will involve organic synthesis,
ionophores: Synthetic anion                 spectroscopic study of receptor-anion
transporters can disrupt cellular ion       interactions, and membrane transport
20
                                                                               dr toby hudson

                                                                                                                  Room 456
                                                                                                   T: +61 2 9036 7648
                                                                                    E: toby.hudson@sydney.edu.au
                                                              W: https://sydney.edu.au/science/about/our-
                                                                 people/academic-staff/toby-hudson.html

Predicting and designing the struc-          the effectiveness of the search for a       ordered. This project will investigate
tures made by the self-assembly of           prediction. We have previously found        the ways in which random packings
particles is a key requirement for a         that for network materials with similar     of a series of different particles are
new generation of advanced materials.        frustrating tangles, the introduction of    related to the ideal crystal structures
Many fundamental questions are still         additional compact spatial dimensions       of those same particles. Supervisor:
open. The group’s research involves          allows these frustrations to easily         Dr Toby Hudson.
the computer simulation of complex           unfold, while still allowing us to easily
                                                                                         Porous nanoparticle superlattices:
materials, concentrating on issues of        draw the structure back to a realistic
                                                                                         Nanoparticles can now be made with
structure and dynamics. All of the proj-     three-dimensional structure. This
                                                                                         exquisite control of shape and are be-
ects are done with computational ex-         project would apply this promising
                                                                                         coming increasingly important as build-
periments, but all can be done without       methodology to the important field
                                                                                         ing blocks for new high-tech materials.
previous experience of programming.          of protein structure prediction
                                                                                         Mixtures of particles with directional
                                             Supervisor: Dr Toby Hudson.
What is it about the shape of a par-                                                     interactions are attractive candidates
ticle that determines how it packs?          Building billion year old glass in          for making a new family of porous
One of the big challenges in crystal         a day: Recent experiments using             superlattices, which have applications
engineering is to predict how nanopar-       physical vapour deposition of a warm        in catalysis, sensing, and optics. You
ticles will self-assemble into crystalline   thin film show that the free surface        will explore the range of superlat-
arrays. Some particle shapes fill space      allows molecules the flexibility to         tices that can be made, using Monte
better than others, but when they            search around a bit before they get         Carlo simulations and by extending a
self-assemble, they all try to do the        stuck. This creates a material which is     structural search algorithm. Interesting
best they can. We have found that            extremely stable compared to normal         structures may be synthesized by col-
individual particle properties like sym-     bulk glasses, and is equivalent in most     laborators in Japan or the USA. This is
                                                                                         a joint project. Supervisors: Dr Toby
metries, concavity, and aspect ratio         respects to a glass which by some
                                                                                         Hudson and Dr Asaph Widmer-Cooper.
all play a role in how dense they can        estimates has been aged for billions of
collectively be arranged. But so far         years. In this project, you will simulate   Structure and stability of molecular
we cannot explain why some shapes            this process and the materials it cre-      crystals: The stability and structure of
pack in an unusual complex pattern           ates. Supervisor: Dr Toby Hudson.           molecular crystals is of great interest
whereas others are quite simple. Some                                                    in pharmacology and the development
chiral molecules crystallise as pure         What is the connection between
                                                                                         of functional thin films. In one project,
enantiomers while others prefer to           random packings and crystalline
                                                                                         you would calculate the thermal
form racemic crystals. Why? Some             packings? Jammed random packings
                                                                                         expansion of molecular crystals – an
achiral molecules become chiral during       of particles play an important role in
                                                                                         experimentally accessible property
crystallisation. Why? Supervisor: Dr         many industrial applications including
                                                                                         that provides a window into the trade
Toby Hudson.                                 the stability of mining stockpiles, the
                                                                                         off between optimal packing and
                                             safety of pebble bed nuclear reactors,
                                                                                         optimal vibrational freedom, a trade
Protein structure prediction                 and the stability of amorphous thin         off that is particularly sensitive to
- unfolding knots with extra                 films. But the theoretical understand-      molecular shape. This is a joint project.
dimensions: The native state of              ing of these systems is still in its        Supervisors: Dr Toby Hudson and
a protein almost never includes a            infancy – there is even still wide dis-     Professor Peter Harrowell.
knot. But computational structure            agreement on how to define a random
prediction is often plagued by knots         packing. Everyone is clear that they        Please feel free to contact me to learn
and other tangles that are slow to           are not crystalline, but if you shake       more about these and other projects
resolve, and thus dramatically reduce        them just right, they can become more       available.
21
                                                                  dr girish lakhwani

                                                                                                             Room 358
                                                                                               T: +61 2 9351 5783
                                                                            E: girish.lakhwani@sydney.edu.au
                                                            W: https://sydney.edu.au/science/about/our-
                                                             people/academic-staff/girish-lakhwani.html

Molecular photophysics                      Faraday rotation in organic             organisation in nano-aggregates.
research group                              semiconductors: Society’s over-         Supervisor: Dr Girish Lakhwani.
                                            reliance on information exchange
Molecular Photophysics research             around the world hinges critically      Time resolved spectroscopy: Soft
group is a part of the ARC Centre           on ultrafast data communication         condensed matter covers a broad
of Excellence in Exciton Science            using light signals. Modern optical     range of fields from biology to
(ACEx), whose primary mission               data communication works at high        optoelectronics and photonics. Within
is to manipulate the way light              bit rates and therefore polarization    this, conjugated materials demonstrate
energy is absorbed, transported             switches have to be very fast (<        both ordered and disordered phases
and transformed in advanced                 1ns). Understanding dynamics of         depending on the chromophore
molecular materials. Our key focus          polarization decay and dispersive       arrangement. While strong electronic
is on investigating the optoelectronic      transport of excitons as a function     coupling between chromophores
properties of novel nanoscale               of device morphology is critical in     promotes delocalization of the optical
semiconductor materials for solar           underpinning material parameters        excitation, weak coupling makes
energy harvesting, polarisation             required developing ultrafast           energy vary from site to site controlling
switching and polariton lasing. Our         polarization switches. This project     the energy and charge transfer central
research underpins various research         will use a range of complementary       to the operation of optoelectronic
projects within the ACEx and beyond.        experimental approaches to study        devices. This project will use time-
                                            polarization switching and Faraday      resolved spectroscopy to identify
Probing energy transfer one                                                         role of disorder on energy transfer.
                                            rotation in an emerging class of
molecule at a time: Our group is                                                    Supervisor: Dr Girish Lakhwani.
                                            organic semiconductors. Supervisor:
heavily invested in understanding
                                            Dr Girish Lakhwani.
molecular parameters that underpin                                                  Device physics of organic solar cells:
the excitonic behaviour at a nanoscale.     Chiroptical phenomena in conjugated     Photo-generated free charges in
An exciton is a Coulombically bound         systems: π-conjugated materials         organic solar cells must be transported
electron-hole pair that is generated        (CMs) have proven to be cheap, easily   to the respective electrodes before
in a material either by light absorption    processable and flexible alternatives   they can recombine resulting in loss
or electrical charge injection. As the      to silicon for applications in thin     of current. Recently, several research
size of devices decreases, single           film solar cells and light emitting     groups have demonstrated that by
molecules dominate optical processes        diodes. However, the optical and        modulating singlet and triplet charge
such as energy transfer. In our group,      electronic properties of CMs depend     transfer states, charge recombination
we use single molecule spectroscopy         strongly on the polymer organisation    can be reduced significantly. In this
to study optical processes occurring        within a nano-aggregate that isn’t      project, you will fabricate devices and
at a single molecule level otherwise        well understood. In our lab we use      identity strategies to reduce charge
obscured while using conventional           Circular Dichroism (CD) spectroscopy    recombination thereby providing
spectroscopic methods that ensemble         to study molecular organisation         design rules for highly efficient solar
averages molecular heterogeneity.           of chiral materials by measuring        cells. Supervisor: Dr Girish Lakhwani.
For example, single molecules show          difference in absorbance of left- and
fluorescence blinking, which causes         right- circularly polarised light in
random switching of emission between        ground and excited states. In this
on and off states. In this project, we      project you will experimentally study
will investigate blinking dynamics in low   structure-property relationships of     Please feel free to contact me to learn
dimensional systems and identify its        chiral analogues of CMs using CD        more about these and other projects
origin. Supervisor: Dr Girish Lakhwani.     spectroscopy and characterise their     available.
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