华东理工大学 胡培君院士 9月11日下午学术报告

发布时间:2019-09-03访问量:82设置

报告人:胡培君院士(华东理工大学大学)

报告题目:What Can We Learn from DFT Calculations in Heterogeneous Catalysis

报告时间:2019911日(星期三)下午13:00

报告地点:909-B

  

报告摘要:

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 our work on the understanding of activity of heterogeneous catalysts. The activity of catalysts, the so-called volcano curve, will be discussed and some key properties for the activity of catalysts will be identified. Finally, I will show how the understanding of activity of catalysts from DFT studies can be used to rationally design new catalysts.

  

个人简介:

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(Queens 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NatureNature CatalysisNature EnergyNature CommunicationsJ. Am. Chem. Soc.Angew. Chem. Int. Ed.Phys. Rev. Lett.

  

联系人:李有勇教授

  

责任编辑:孙熠


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