Lecture by Pro. Aijun Du on Computational Discovery and Design of 2D Materials for Electronics and Energy Applications
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Lecture by Pro. Aijun Du on Computational Discovery and Design of 2D Materials for Electronics and Energy Applications
DateandTime: 2016-10-26 22:31:06

Speaker:Aijun Du, Associate Professor, Queensland University of Technology (QUT), Australia

Date: October 24, 2016

Time:3:00 pm

Location:Ion Beam Hall

Sponsor: the School of Physics



The discovery of graphene [1] has led to the significant development of the family of 2D materials including hexagonal boron nitride, silicene, phosphorene, borophene, metal dichalcogenides and metal oxides etc. Up to now, a diverse range of intriguing properties of 2D materials have been revealed, highlighting potential applications in energy and nanoelectronics. However, the practical applications based on the above 2D materials are still at its early stage, e.g. the lack of obvious gap in graphene and in contrast and a too large gap in boron nitride. Therefore, the search of new or functionalized 2D materials is of paramount importance for building next generation nanodevice. Our recent research mainly focuses on (i) predicting new graphene-like 2D Dirac materials [2-3]; (ii) exploring the functionalization of 2D materials for carbon dioxide capture and conversion into alternative fuel cell [4-5]; (iii) studying new and experimentally less-explored 2D materials that possess an ideal band gap for photovoltaics, a favorable band alignment for photocatalysis and catalytically active sites for water splitting [6-8]. In this presentation, I will share our most recent research progress in relation to the above topics.


[1] a) K.S. Novoselov et al. Science 306 (2004) 666; b) A. K. Geim et al., Nature 499 (2013) 419.

[2] F. Ma, Y.L. Jiao, G. Gao, Y.T. Gu, A. Bilic, Z.F. Chen and A Du, Nano Letters 6 (2016) 3022.

[3] Y.L. Jiao, F. Ma, J. Bell, A. Bilic and A Du, Angewandte Chemie, 128 (2016) 10448.

[4] Q. Sun, Z. Li, D. Searles, Y. Chen, G.Q. Lu and A Du, J. Amer. Chem. Soc. 135 (2013) 8246.

[5] G. Gao, Y. Jiao, E.R. Waclawik and A Du, J. Amer. Chem. Soc. 138 (2016) 6292.

[6] Y Zheng et al. Nature Communications, 5 (2014) 3783; b) G. Gao and A. Du, J. Catalysis, 332 (2015) 149.

[7] Y.L. Jiao, F. Ma, G. Gao, J. Bell, T. Frauenheim and A Du, J. Phys. Chem. Letts, 6 (2015) 2682.

[8] Y.L. Jiao, L. Zhou, F. Ma, G. Gao, L. Kou, J. Bell, S Sanvito, A Du, Appl. Mater. & Interface, 8 (2016) 5385.





Aijun Du is currently an Associate Professor at School of Chemistry, Physics and Mechanical Engineering at Queensland University of Technology (QUT), Australia. He received his PhD degree from Fudan University of China in 2002. Before joining QUT in 2013, he worked at Australian Institute for Bioengineering and Nanotechnology, the University of Queensland. He was awarded both ARC Future Fellowship and ARC Queen Elizabeth II Fellowship in 2011. His research lies at the interface of Physics, Chemistry and Engineering, focusing on the design and development of innovative materials for energy, electronics and environmental applications using advanced theoretical modeling approaches.


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