报告时间：2013年3月25日（星期一）上午9:00

报告地点：催化基础国家重点实验室三楼会议室

报告人：Prof. Peijun Hu

East China University of Science and Technology, China

School of Chemistry and Chemical Engineering, Queen’s University Belfast, UK

报告人简介：

2009-　　　　Professor, Elected Member of Royal Irish Academy，The Queen’s University of Belfast

2004-09　　  Professor, The Queen’s University of Belfast

2001-04　　  Reader, The Queen’s University of Belfast

1995-01　　  Lecturer, The Queen’s University of Belfast

1993-95　　  Post-Doctoral Research Associate, University of Cambridge

1988-89　　  Visiting Scientist, University of Cambridge

1985-88　　  Lecturer, East China University of Science and Technology, China

胡培君教授在国际重要学术刊物上发表研究文章130多篇，其中包括2篇Nature (第一作者)，1篇Nature Communication, 4篇Phys. Rev. Lett.，15篇J. Am. Chem. Soc.，5篇Angew. Chem. Int. Ed.，1篇Progress in Surface Science，论文被引用次数达5000多次。

报告摘要：

Catalysts are typically developed by trial-and-error experimentally and there is no doubt that to be able to rationally design catalysts is one of the most ultimate goals in chemistry. In the last two decades, density functional theory (DFT) calculations have been widely used to understand catalytic systems. However, rational designs of catalysts from DFT calculations are rare. In this talk, I will show that the following steps, (i) to identify the key problem in a catalytic process using DFT calculations and (ii) designing catalysts based on the understanding of catalytic system, may be a rational design process. Using two examples, I illustrate that the above process provides a methodology that approaches to the chemistry goal of rational design of catalysts.

报告联系人：507组 于晓（9997）