报告题目：Electrocatalyst Materials for Energy Relevant Applications
报告摘要:2D materials possess unique electronic structure and the large surface area make them good candidates for novel catalysis applications, especially electrocatalysis reactions (HER, OER, ORR, CRR, NRR). Our recent research aims to provide in‐depth understanding of material properties at atomic level and develop novel strategies to modify the electronic structure of electrocatalytic nanomaterials for energy applications via high throughput computer screening and density functional theory approaches. In this talk, I will share our recent research progress on the predictions of new electrocatalytic materials and novel application that link to the experiment. These include (i) the prediction of a novel 2D boron hydride nanosheets which was realized in recent experiment; (ii) the prediction of 2D MXenes as efficient catalyst for hydrogen evolution reaction as evidenced by experiment; (iii) the prediction of strain-modulated chemical reaction which is consistent with most recent experimental findings; (iv) the prediction of a novel single atom catalyst based on transition metal decorated graphitic carbon nitride with confirmation from many recent experiments; (v) the prediction of coordination effect between transition metal and carbon atoms on hydrogen/oxygen evolution reaction as proved by later experiment.
报告人简介:Prof. Aijun Du received his PhD in 2002 at Fudan University of China. He was awarded Australian Research Council Future fellowship and Queen Elizabeth II fellowship. He is currently a full professor at Queensland of University of Technology. His research lies at the interface of chemistry, physics and engineering, focusing on the development of innovative materials for energy, environmental and nanoelectronics applications through advanced theoretical modelling. He has published 250 refereed journal papers including JACS; Nano Letters; PRL; Advances Materials, Nature Communications; Advanced Functional Materials, Nano Energy and Angewandt Chemie. As at December 2019, his works have been cited 12000 times with H-index of 52 and 18 highly cited research papers.