报告题目: Simulation of catalysis processes for defective surfaces

报告人:  胡智鑫 副教授 (天津大学量子交叉研究中心)

报告时间:  2020年 11 月 26 日 (周四) 15:30 ~ 16:30

报告地点:  在线报告（腾讯会议ID：477 371 022）

报告摘要:

Accelerating reactions such as hydrogen evolution or oxygen reduction is a long pursuing topic in the electrocatalytic society. Some materials like graphene and MoS2 was found to have poor catalytic performance in their intrinsic form. However, doping different elements or creating defects will possibly make them work [1]. Even bird’s crap will do the job [2]. Here we use the density functional theory to model atomic structures of some defective catalysts. The catalyzing mechanism at the reactive site is also investigated [3,4].  

报告人简介:

胡智鑫，2015年6月于中国人民大学物理系获得理学博士学位，之后在多伦多大学化学系从事博士后工作。2017年12月回国加入天津大学理学院量子交叉中心。主要研究方向为使用第一性原理方法研究表面及界面处的奇特物理和化学性质。

参考文献:

[1] Wu, C. Q.; et al. J. Phys. Chem. Lett. 2019, 10, 20, 6081–6087.

[2] Lu, W.; et al. ACS Nano 2020, 14, 1, 21–25.

[3] Lu, W.; et al. Nat. Comm. 2020, 11, 2432.

[4] Lin, S. H.; et al. Nano Energy 2017, 42, 26–33.