催化中的反向分子设计理论与电子转移理论

365bet体育在线:2018-06-20浏览:1640编辑:摄影:    通讯员:设置

  

报告题目:Inverse Molecular Design Theory and Electron Transfer Theory in Catalysis(催化中的反向分子设计理论与电子转移理论)

 

  

报告365bet体育在线:2018625日(周一)上午 930

  

报告地点:材料楼210会议室

 

Abstract

Currently, designing chemicals and materials based on ‘trial-and-error’ in experiments is a somehow effective but very time-consuming process. Here, I will present a promising theoretical method to design chemicals called inverse molecular design (IMD) theory. I will demonstrate how we used a new IMD method based on linear combination of atomic potential in tight-binding framework (LCAP-TB) approach to design green catalysts for biomass conversion, together with its previous applications in designing nonlinear optical materials and photo-sensitizers for photocatalysis.

Electron transfer process is a ubiquitous phenomenon in chemistry and biology. I will present here the most recent electron transfer theory development in vibration-controlled electron transfer, solar cells, and photocatalysis.

  

报告人先容:

肖德泉博士先后于四川大学化学学院获学士和硕士学位,2009年在杜克大学(Duke University)获得化学博士学位,随后在耶鲁大学(Yale University)进行博士后研究工作(2009-2013)。2013起在美国纽黑文大学(University of New Haven)任Assistant Professor,研究兴趣主要集中于发展化学材料的理论设计和模拟方法来推动新材料的试验开发,是分子反向设计方法的先驱者之一,曾获大学研究学者称号。肖教授现为纽黑文大学综合材料发明中心主任,同时兼任美国宇航局康涅狄格州研究基金的顾问,以及安徽万朗塑料集团美国实验室的主任。迄今在JACSAngew. Chem. Int. EditNano Lett.Acc. Chem. Res.等高影响力的杂志发表论文近40篇,被引用达1000次。目前其研究团队主要开展:生物质燃料绿色催化剂的设计,白血病的分子药物设计,以及高分子纳米材料的设计等研究。

 

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