Personal details
- Name
- Professor Aijun Du
- Position(s)
- Professor
Science and Engineering Faculty,
School of Chemistry & Physics - Discipline *
- Nanotechnology, Physical Chemistry (incl. Structural), Theoretical and Computational Chemistry
- Phone
- +61 7 3138 6980
- aijun.du@qut.edu.au
- Location
- View location details (QUT staff and student access only)
- Identifiers and profiles
-
- 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:
- 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
Biography
Broad Area of Research: Computational Nanotechnology; Energy; Electronics and Environment. Prof Du’s Google Scholar Citations: http://scholar.google.com.au/citations?user=gq46vrgAAAAJ&hl=en *PhD Project Available: We are seeking creative and highly motivated individuals with computational skills and a strong background in chemistry or condensed matter physics or materials engineering. China Scholarship Council (CSC) applicants are also welcome. For more details, please feel free to contact Prof Du (aijun.du@qut.edu.au). 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 and CO oxidation Reaction at Fuel Cell Cathode and Anode – Ref: JACS 133 (2011) 20116.
(ii) Nanoelectronics:
- Prediction of Novel Nano-architectures – Ref: Nano Letters 7 (2007) 3349 and JACS 131 (2009) 1682.
- Metal-free Magnetism and Spintronics – Ref: Phys. Rev. Letts 108 (2012) 197207 and JACS 131 (2009) 17354 and JACS 134 (2012) 4393.
- Band Gap Engineering – Ref: JACS 132 (2010) 2876.
(iii) Environment:
- Carbon Dioxide Capture, Separation, Storage, Activation and Conversion – Ref: JACS, 135 (2013) 8246.
- Hydrogen Purification – Ref: Chemical Communications 47 (2011) 11843 , Front Cover.
Awarded Grants:
- 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.
Awards and Recognitions:
- 2011, Recipient of ARC Queen Elizabeth II Fellowship, ARC
- 2011, Recipient of ARC Future Fellowship, ARC
Career History:
- 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: Research Fellow, Australian Institute for Bioengineering and Nanotechnology, The University of Queensland.
- 2002: Postdoctoral Research Fellowship, Department of Material Science, University of Milan, Italy.
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: 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 p1-8
- 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 p8246-8253
- 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 p1-5
- 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 p4393-4397
- 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 p20116-20119
- 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 p2876-2877
- 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 p1682-1683
- 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 p17354-17359
- 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 p3349-3354
- 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 p10201-10204
For more publications by this staff member, visit QUT ePrints, the University's research repository.
Awards
Awards and recognition
- 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
Research projects
Grants and projects (Category 1: Australian Competitive Grants only)
- 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
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)