Recent Theoretical Progresses in Heterogeneous Catalysis

发布日期:2019-12-27     浏览次数:次   

讲座题目:Recent Theoretical Progresses in Heterogeneous Catalysis

讲座人:胡培君 英国女王大学教授,爱尔兰皇家学院院士

讲座时间:2020 年 1月3日(周五) 上午 10:00

讲座地点:卢嘉锡楼202报告厅

讲座人简介:

胡培君, 1982年毕业于华东理工大学,获学士学位,1993年毕业于英国剑桥大学,获博士学位。2004任英国女王大学(Queen’s University Belfast)教授,2009当选为爱尔兰皇家学院院士。长期从事催化反应模拟和催化剂理论的研究,为非均相催化反应量子力学计算的实现、发展和非均相催化反应微观基础理论的发展做出了重大贡献。特别是他和他的课题组发展了计算基元反应能垒的方法,首次计算了固体表面吸附,表面反应,脱附的基元反应能垒,为现代理论催化奠定了基础,是国际理论催化领域具有重要影响的学术带头人之一。在国际重要学术刊物上发表研究文章200多篇,其中包括多篇Nature,Nature Catalysis,Nature Energy,Nature Communications,J. Am. Chem. Soc.,Angew. Chem. Int. Ed.,Phys. Rev. Lett.。

讲座摘要:

Heterogeneous catalysis has been a key focus for researchers across many disciplines, including chemistry, physics, materials science and even engineering and to understand the subject is one of the ultimate goals in physical science. In the last twenty years or so, theoretical catalysis has become very important to achieve this goal. In this talk, firstly I will briefly review the history of theoretical catalysis. Then, I will present some of recent theoretical progresses in heterogeneous catalysts. I will show how photo-catalytic progresses can be simulated using DFT. The adsorption/desorption in catalytic processes will be discussed.




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