Role in the Centre
Aijun Du’s research lies at the interface of Physics, Chemistry and Materials Science, focusing on the development of innovative nanomaterials for electronics, clean energy, and environmental applications using state-of-the-art computational approaches. Within QUT’s Centre for Materials Science, Aijun is co-leader of the Computation, Prediction and Modelling theme and contributes to the following research programs: (i) new 2D/3D Dirac materials for low energy electronics; (ii) novel ferromagnetic/ferroelectric and topological materials for potential spintronics applications; (iii) emerging 2D materials and van der Waals heterostructures; (iv) hydrogen storage, purification and production; (v) computational electrocatalysis (hydrogen/oxygen evolution reaction and oxygen reduction reaction); (vi) photochemical water splitting; (vii) carbon dioxide capture/conversion and carbon monoxide reduction; (viii) developing efficient catalysts for nitrogen fixation; and (ix) nanomembranes for gas sensing and separation. He has also demonstrated great success in collaboration with many experimental groups within and outside QUT by providing in-depth mechanistic understanding that links to experimental synthesis and characterization in the fields of hard and soft matter.
Aijun Du received his PhD in 2002. He was employed at the University of Queensland for 10 years and then joined Queensland University of Technology in 2013. In his research career to date, he has attracted over $2.0M in funding from Australian Research Council. He has authored over 260 peer-reviewed publications in leading journals with 14,000 citations and 20 ESI highly cited research papers. He was a keynote and invited speaker at over 60 conferences. Aijun’s research achievements have been recognised by the awards of both an Australian Research Council Queen Elizabeth II Fellowship and a Future Fellowship.
“First-Principles Prediction of a Room Temperature Ferromagnetic Janus VSSe Monolayer with Piezoelectricity, Ferroelasticity and large Valley Polarization” Zhang, C.; Nie, Y.; Sanvito, S.; Du, A. Nano Lett. 2019, 19, 1366-1370. 42 citations, ISI Highly Cited Article in Physics.
“First-principles prediction of spin-polarized multiple Dirac rings in manganese fluoride” Jiao, Y.; Ma, F.; Zhang, C.; Bell, J.; Sanvito, S.; Du, A. Phys. Rev. Lett. 2017, 119, 016403. 43 citations.
“2D MXenes: a new family of promising catalysts for the hydrogen evolution reaction” Gao, G.; O’Mullane, A.P.; Du, A. ACS Catalysis 2017 7, 494-500. 246 citations, ISI Highly Cited Article in Chemistry.
“Single atom (Pd/Pt) supported on graphitic carbon nitride as efficient photocatalyst for visible-light reduction of carbon dioxide”, Gao, G.; Jiao, Y.; Waclawik, E.R.; Du, A. J. Amer. Chem. Soc. 2016 138, 6292-6297. 436 citations, ISI Highly Cited Article in Chemistry.
“Charge Controlled Switchable CO2 Capture on Boron Nitride Nanomaterials”, Sun, Q.; Li, Z.; Searles, D.J; Chen, Y.; Lu, G.; Du, A. J. Amer. Chem. Soc. 2013 135, 8246-8253. 193 citations, highlighted in Chemical Engineering News.
- Discovery and Design of Novel Catalysts from Computational Chemistry
- Magnetic/Electronic Manipulation by Reversible Polarization of 2D Ferroelectrics
- Materials Discovery and Design from Quantum Mechanics based Computational Approaches
- Plasma-assisted on-surface assembly for electrocatalytic hydrogen production and other applications