2020 HONOURS PROJECTS - School of Chemistry - The University of Sydney
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4 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
5 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
6 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
7 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
8 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
9 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.
10 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
11 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
12 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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