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Computational Quest for High-performance Single-atom Electrocatalysts and Beyond
Date:2022-12-13   View:

Presentation: Chen Zhongfang


Invited by: Yuanping Chen


Report time: December 16, 2022 10:00 - 11:00


Report Location: Online Conference: (Tencent Conference Number: 842-299-684)


Title: Computational Quest for High-performance Single-atom Electrocatalysts and Beyond


Computational Quest for High-performance Single-atom Electrocatalysts and Beyond


Report Abstract:


Nitrogen electroreduction reactions (NRR) in aqueous solutions under ambient conditions represent an attractive prospect for ammonia production, but the development of long-term stable, low-cost, high-efficiency and highly selective catalysts remains a great challenge. Single-atom catalysts have emerged as a new frontier in the field of heterogeneous catalysis and have shown excellent performance in a variety of reactions because of their high catalytic activity while using significantly less metal. In this talk, we will present our recent efforts in designing monoatomic and metal-free electrocatalysts for nitrogen reduction reactions (NRR) under ambient conditions. In addition to identifying promising catalysts for nitrogen fixation, we will highlight design principles and screening procedures for effective NRR catalysts based on mechanistic understanding.


Rapporteur Bio:


Zhongfang Chen is a professor at the University of Puerto Rico, USA. He entered the Department of Chemistry at Nankai University in 1990, and received his B.S. degree in 1994 and Ph.D. degree in 2000. he has been an associate professor in the Department of Chemistry at the University of Puerto Rico since fall 2008 and a full professor since 2014. Research expertise: Prof. Zhongfang Chen's research interests are in computational chemistry and computational nanomaterials science, focusing on the close integration and interaction between theory and experiment. In recent years, he has been working on theoretical research on graphene and other 2D nanomaterials, nanocatalysts, and the application of nanomaterials in environmental management.


All students and faculty are welcome to attend!


 
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