Professor Aijun Du
Faculty of Science,
School of Chemistry & Physics
Biography
Prof Du is Clarivate Highly Cited Researcher in 2022 ( Chemistry) and 2020-2021 (Cross-Field). His Google Scholar Citations website is:http://scholar.google.com.au/citations?user=gq46vrgAAAAJ&hl=en
Broad Area of Research: Computational Nanotechnology; Energy; Electronics and Environment.
Main Research Areas: Our Research Lies at the Interface of Chemistry, Physics and Engineering, Focusing on Developing Innovative Materials for Clean Energy, Electronics and Environmental Science through Advanced Theoretical Modelling.
(i) Clean Energy:
- Hydrogen Storage - Ref: JACS 129 (2007) 10201; 129 (2007) 15650; JACS 132 (2010) 2876.
- Nanomaterials fo Photovoltaic and Photo-catalytic Application - Ref: JACS 134 (2012) 4393 and JPCL 2 (2011) 894.
- Oxygen Reduction; Hydrogen Evolution Reaction and N2 Fixation - Ref: JACS 140 (2018) 14161; ACS Catalysis 7 (2017) 494; JACS 133 (2011) 20116;
- Prediction of Novel Nano-architectures - Ref: Angewandte Chemie 128 (2016) 1044; Nano letters 16 (2016) 3022; Nano Letters 7 (2007) 3349 and JACS 131 (2009) 1682.
- Magnetism and Spintronics - Ref: Phys. Rev. Letts. 19 (2017) 016403; Phys. Rev. Letts 108 (2012) 197207 and JACS 131 (2009) 17354.
- Band Gap Engineering - Ref: JACS 132 (2010) 2876; JACS 134 (2012) 4393.
- Carbon Dioxide Capture, Separation, Storage, Activation and Conversion - Ref: JACS, 138 (2016) 6292; JACS, 135 (2013) 8246.
- Hydrogen Purification - Ref: Chemical Communications 47 (2011) 11843 , Front Cover.
- 2021-2023: Australian Research Council Discovery Project (DP210100331), In Silico Discovery and Design of 2D Ferromagnets for Nanoscale Electronics”, $350,000 (AUD).
- 2021-2023: Australian Research Council Discovery Project (DP210100721), Boosting Carbon Dioxide Reduction via Surface and Interface Engineering”, $458,000 (AUD).
- 2017-2019: Australian Research Council Discovery Project (DP170103598), “2D Graphitic Carbon Nitride Heterostructuresfor Solar Hydrogen Production”, $310,000 (AUD)
- 2017-2019: Australian Research Council Discovery Project (DP170104660), “Novel Hybrid cathode for low temperature solid oxide fuel cells”, $396,000 (AUD).
- 2014-2015: ATN-DAAD Research Cooperation Scheme: In-silicon Design of Graphene-based van der Waals Heterojuction for Photovoltaics Application, $25,000.
- 2013-2015: ARC Discovery Project: Non-precious fuel cell cathode catalysts from carbon-based nanohybrids: a computational to experimental quest, $334k
- 2011-2015: ARC Queen Elizabeth II Fellowship Grant: Exploring electronic functionality in low-dimensional carbon and boron-nitride nanomaterials via advanced theoretical modeling, $700k
- 2010-2014: ARC Future Fellowship Grant: Electronic Functionality in Nanoscale Materials: From Discovery to Design”, $630K.
- 2007-2008: UQ early career research grant. Stochastical Models for Multiphase Kinetics of Hydrogen Storage in Designed Nanocomposite Materials. $30,000.
- 2006-2007: Quantum Characterization of Doped Titania Materials for Microwave Technology Applications. Microwave and Material Development Pty Ltd, $10,000.
- 2022, Clarivate Highly Cited Researcher in Chemistry, Web of Science
- 2021, Clarivate Highly Cited Researcher in the Cross Field, Web of Science
- 2020, Clarivate Highly Cited Researcher in the Cross Field, Web of Science
- 2011, Recipient of ARC Queen Elizabeth II Fellowship, ARC
- 2011, Recipient of ARC Future Fellowship, ARC
- 2017- Professor, School of Chemistry, Physics and Mechanical Engineering, Queensland University of Technology
- 2013- 2016: Associate Professor, School of Chemistry, Physics and Mechanical Engineering, Queensland University of Technology
- 2011- 2015: ARC Queen Elizabeth II Fellow.
- 2011: Associate Professor, Australian Institute for Bioengineering and Nanotechnology, The University of Queensland.
- 2007: Senior Research Fellow, Australian Institute for Bioengineering and Nanotechnology, The University of Queensland.
Personal details
Positions
- Professor
Faculty of Science,
School of Chemistry & Physics
Keywords
Molecular Dynamics, Monte Carlo and Density Functional Theory, Nanotube, Nanoribbon and Nanodot, Fuel Cell, Hydrogen Storage, Carbon Dioxide Capture, Storage and Conversion, Gas Separation, Charge and Spin Transport, Spin and Magentism, Solar Photovoltaics, Photocatalysis
Research field
Nanotechnology, Physical Chemistry (incl. Structural), Theoretical and Computational Chemistry
Field of Research code, Australian and New Zealand Standard Research Classification (ANZSRC), 2008
Qualifications
- Doctor of Philisophy (Fudan University)
Professional memberships and associations
Memberships:
- Member - The Australian Research Council Nanotechnology Network
- Member - American Nano Society
- Member - American Chemical Society
Professional pages:
Teaching
ENN531: Nanomaterials - Numerical Modeling
PVB200: Mathematical and Computational Physics
MXB361: Aspects of Computational Science
Experience
External CollaborationsOver the years, A/Prof. Aijun Du has established collaborations with the scientists of the following organizations:
- Oak Ridge National Laboratory, USA.
- Trinity College Dublin, Ireland.
- Bremen Centre for Comutaitonal Materials Science, Germany.
- Fudan University, China.
- Northwestern University, China.
- University of New South Wales, Australia.
- University of Queensland, Australia.
- Griffith University, Australia.
- Deakin University, Australia.
- CSIRO, Australia.
Interests and community service
- Editorial Board: <<Scientific Reports>>; <<Journal of Quantum Chemistry>>; <<Frontiers in Theoretical and Computational Chemistry>>; <<Advances in Chemistry>>.
- Referee for the International Journals: Nature, Science, Chemical Reviews, Journal of the American Chemical Society, Nano letters, Physical Review Letters, Advanced Materials, Small, ACS Nano, Journal of Physical Chemistry Letters, Journal of Materials Chemistry and Applied Physics Letters etc.
- Assessor for research proposals: ARC, Crotia and Romania.
Publications
- Zheng, Y., Jiao, Y., Zhu, Y., Li, L., Han, Y., Chen, Y., Du, A., Jaroniec, M. & Qiao, S. (2014). Hydrogen evolution by a metal-free electrocatalyst. Nature Communications, 5, 1–8. https://eprints.qut.edu.au/70605
- Sun, Q., Li, Z., Searles, D., Chen, Y., Lu, G. & Du, A. (2013). Charge-controlled switchable CO2 capture on boron nitride nanomaterials. Journal of the American Chemical Society, 135(22), 8246–8253. https://eprints.qut.edu.au/60741
- Du, A., Sanvito, S. & Smith, S. (2012). First-principles prediction of metal-free magnetism and intrinsic half-metallicity in graphitic carbon nitride. Physical Review Letters, 108(19), 1–5. https://eprints.qut.edu.au/58151
- Du, A., Sanvito, S., Li, Z., Wang, D., Jiao, Y., Liao, T., Sun, Q., Ng, Y., Zhu, Z., Amal, R. & Smith, S. (2012). Hybrid graphene and graphitic carbon nitride nanocomposite: Gap opening, electron-hole puddle, interfacial charge transfer, and enhanced visible light response. Journal of the American Chemical Society, 134(9), 4393–4397. https://eprints.qut.edu.au/58933
- Zheng, Y., Jiao, Y., Chen, J., Liu, J., Liang, J., Du, A., Zhang, W., Zhu, Z., Smith, S., Jaroniec, M., Lu, G. & Qiao, S. (2011). Nanoporous graphitic-C3N4@carbon metal-free electrocatalysts for highly efficient oxygen reduction. Journal of the American Chemical Society, 133(50), 20116–20119. https://eprints.qut.edu.au/58934
- Du, A., Zhu, Z. & Smith, S. (2010). Multifunctional porous graphene for nanoelectronics and hydrogen storage: New properties revealed by first principle calculations. Journal of the American Chemical Society, 132(9), 2876–2877. https://eprints.qut.edu.au/58938
- Du, A., Chen, Y., Zhu, Z., Lu, G. & Smith, S. (2009). C-BN single-walled nanotubes from hybrid connection of BN/C nanoribbons: Prediction by ab initio density functional calculations. Journal of the American Chemical Society, 131(5), 1682–1683. https://eprints.qut.edu.au/58936
- Du, A., Chen, Y., Zhu, Z., Amal, R., Lu, G. & Smith, S. (2009). Dots versus antidots: Computational exploration of structure, magnetism, and half-metallicity in boron-nitride nanostructures. Journal of the American Chemical Society, 131(47), 17354–17359. https://eprints.qut.edu.au/58937
- Du, A., Smith, S. & Lu, G. (2007). Formation of single-walled carbon nanotube via the interaction of graphene nanoribbons: Ab initio density functional calculations. Nano Letters, 7(11), 3349–3354. https://eprints.qut.edu.au/58941
- Du, A., Smith, S., Yao, X. & Lu, G. (2007). Hydrogen spillover mechanism on a Pd-doped Mg surface as revealed by ab initio density functional calculation. Journal of the American Chemical Society, 129(33), 10201–10204. https://eprints.qut.edu.au/58942
QUT ePrints
For more publications by Aijun, explore their research in QUT ePrints (our digital repository).
Awards
- Type
- Academic Honours, Prestigious Awards or Prizes
- Reference year
- 2020
- Details
- Clarivate Highly Cited Researcher in Cross-Field
- Type
- Academic Honours, Prestigious Awards or Prizes
- Reference year
- 2016
- Details
- QUT Vice-Chancellor's Performance Award 2016
- Type
- Recipient of a Nationally Competitive Research Fellowship
- Reference year
- 2011
- Details
- ARC Future Fellowship
- Type
- Recipient of a Nationally Competitive Research Fellowship
- Reference year
- 2011
- Details
- ARC Queen Elizabeth II Fellowship
Selected research projects
- Title
- Boosting Carbon Dioxide Reduction via Surface and Interface Engineering
- Primary fund type
- CAT 1 - Australian Competitive Grant
- Project ID
- DP210100721
- Start year
- 2021
- Keywords
- Title
- In Silico Discovery and Design of 2D Ferromagnets for Nanoscale Electronics
- Primary fund type
- CAT 1 - Australian Competitive Grant
- Project ID
- DP210100331
- Start year
- 2021
- Keywords
- Title
- 2D Graphitic Carbon Nitride Heterostructures for Solar Hydrogen Production
- Primary fund type
- CAT 1 - Australian Competitive Grant
- Project ID
- DP170103598
- Start year
- 2017
- Keywords
- Title
- Novel hybrid cathode for low temperature solid oxide fuel cells
- Primary fund type
- CAT 1 - Australian Competitive Grant
- Project ID
- DP170104660
- Start year
- 2017
- Keywords
- Title
- Non-precious fuel cell cathode catalysts from carbon-based nanohybrids: a computational to experimental quest
- Primary fund type
- CAT 1 - Australian Competitive Grant
- Project ID
- DP130102420
- Start year
- 2013
- Keywords
- Density functional theory; catalyst; carbon nanohybrid
- Title
- Exploring electronic functionality in low dimensional carbon and boron-nitride nanomaterials via advanced theoretical modelling
- Primary fund type
- CAT 1 - Australian Competitive Grant
- Project ID
- DP110101239
- Start year
- 2011
- Keywords
- Graphene/Graphene Nanoribbon; Carbon Nanotube; Conductivity; Transport; Spintronics; Boron Nitride; Density Functional Theory; Nanodot
Projects listed above are funded by Australian Competitive Grants. Projects funded from other sources are not listed due to confidentiality agreements.
Supervision
Completed supervisions (Doctorate)
- Computational Discovery and Design of Nanocatalysts for High Efficiency Electrochemical Reactions (2020)
- Computational Discovery and Design of Novel Materials from Electronic Structure Engineering (2020)
- Computational Exploration of Two-dimensional (2D) Materials for Solar Energy Applications (2019)
- Computational Discovery and Electronic Engineering in Nanomaterials for Photovoltaic and Electronic Applications (2018)
- Computational Design of Catalysts for Clean Energy Conversion and Storage (2017)
- Computational Exploration of Structure and Electronic Functionality in Nanoscale Materials (2017)