报告人：Heechae Choi教授（西交利物浦大学 化学与材料科学系）
报告题目：Theoretical study on photochemical reactions and catalysis of semiconductor nanomaterials with heterointerfaces
报告时间：2025年7月14日下午2:30
报告地点：909 G厅
报告摘要
Heterointerface formation and grain boundary engineering are widely used to control chemical reactions of semiconductors in various applications, such as photochemical energy production, bottom-up semiconductor processing, gas sensing. Especially, synergies of defect engineering, composite formation, and morphology control, and grain boundary density/direction in heterojunctioned nanomaterial systems can greatly increase the yield amount of valuable chemicals through photochemical reactions. In many cases, however, the materials design principles for single engineering factors are not valid anymore when multiple materials engineering factors are applied simultaneously. Therefore, it is very challenging to rationalize the strategies of multiple materials modification methods to achieve the highest energy conversion efficiency. To solve this problem, we combined Fermi-Dirac statistics, Maxwell-Boltzmann model, and density functional theory calculations and successfully rationalized chemical reactions of nanomaterials having various engineering factors (doping, morphology, grain boundary). In this presentation, I will introduce recent research works on modeling method developments for photochemical water splitting and photocatalytic CO2RR of metal-semiconductor and metal-metal heterojunctions having multiple engineering factors.
个人简介 ：
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Heechae Choi is a full Professor at Department of Chemistry and Materials Science, School of Science, Xi’an Jiaotong-Liverpool University (XJTLU) since January 2023. Before joining XJTLU, he had his first independent academic career as a Group Leader (Principal Investigator) at Institute of Inorganic and Materials Chemistry, University of Cologne, Germany, after receiving a top-level grant, MOPGA-GRI fellowship from 2018 to 2022. He received his Bachelor and Doctoral degrees both from Hanyang University in 2006 and 2012, respectively. Before he started academic career as faculty, he was trained in Korea Institute of Science Technology (KIST) for 4 years, and founded two venture companies, Virtual Lab Inc. and Materials Lab (Mar.2016, Aug.2018), which provide materials simulation platform and consulting services to big manufacturing companies including Samsung Electronics, 3M, SK, MiCo, respectively.
联系人：安兴达 副教授