物理大讲堂——名家系列讲座(九)

时间:2019-03-20    点击:

报告题目:Computational Discovery and Design of Novel Materials for Energy and Electronics Applications

报 告 人:Aijun Du

      Queensland University of Technology

报告时间:2019年3月21日(星期四)下午14:00

报告地点:前卫南区唐敖庆楼C区603报告厅

 

报告摘要:

Significant research progress in the field of 2D materials has been made in recent years following the discovery of graphene. Such materials at reduced dimension possesses well-known quantum confinement, which have significant impact on materials’ electronic structure and catalysis properties. My recent research aims to provide in‐depth understanding of material properties at atomic/molecular level and develop novel strategies to manipulate electronic structure of novel materials through computational physics/chemistry. These include (i) predicting novel 2D boron hydride nanosheets with Dirac cone band using CALYPSO and our theoretical work was further verified in most recent experiment; (ii) predicting a number of novel symmetry-protected Dirac half metallic materials for potential spintronics applications; (iii) predicting 2D MXene as an efficient catalyst for hydrogen evolution reaction which was proved by experiment; (iv) predicting novel single atom decorated porous carbon nitride for carbon dioxide conversion.

 

 

举办单位:吉林大学物理学院

     超硬材料国家重点实验室

     计算物理方法与软件创新中心

     吉林省物理学会

 

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