| 报告题目 | Understanding Solid-Solid and Liquid-Solid Interfaces in Electrocatalysis Through DFT Calculations |
| 报告人 | 曾振华 博士 |
| 报告人单位 | Purdue University，USA |
| 报告时间 | 2017-11-17 |
| 报告地点 | 合肥微尺度物质科学国家实验室九楼会议室（9004） |
| 主办单位 | 合肥微尺度物质科学国家实验室、国际化学理论中心、中国科学技术大学化学与材料科学学院 |
| 报告介绍 | Abstract:
Understanding the electrochemical reactions at Liquid-Solid interfaces has been a great and long-term interest but challenge for both experimentalists and theorists. Even though tremendous advances have made through numerous techniques, significant uncertainties relating to the reaction intermediates and reaction mechanism remain. The problem is further complicated when Solid-Solid heterointerfaces have been formed either through electrodeposition or de-alloying, due to unclear interface and surface structures. In this talk, I will review the methodologies we have recently developed to de-convolute those effects. Using monolayer layer (hydroxy)oxide-metal interface as an example, I will demonstrate how to characterize the stable phases under various electrochemical conditions. As a case study, I will show the bi-functional role of the interface in promoting hydrogen evolution reaction. As another example, I will show the development of the metal-metal interface during the de-alloying process of Pt-based alloy electrocatalysts. If time permits, I will further discuss the implication of our work for the understanding of a puzzling phenomenon in heterogeneous catalysis, i.e. the traditional strong-metal support interaction. Finally, I will show the applications of these understandings for the design of new catalysts with improved performances for electrolysis and fuel cell applications. 报告人简介: 曾振华博士2010年毕业于中科院大连化学物理研究所，师从李微雪研究员。研究课题为过度族金属表面原子及电子结构的第一性原理研究。毕业后，先后在Technical University of Denmark (Prof. Jens Norskov and Prof. Jan Rossmeisl group), Argonne National Laboratory, 和Purdue University (Prof. Jeff Greeley Group) 进行电催化机理、界面及材料的第一性原理研究。 研究课题包括燃料电池（HOR/ORR）、电解池反应(HER/OER)，CO2电化学还原及CO电化学氧化等。在Nature Energy, Nano Energy, Nano Letters, JACS, ACS Catalysis, JPCL等刊物上发表超过27篇论文。 |
