Understanding Solid-Solid and Liquid-Solid Interfaces in Electrocatalysis Through DFT Calculations
||Dr. ZENG Zhenhua|
||ROOM 9004, Hefei National Laboratory Building|
Understanding the electrochemical reactions at Liquid-Solid interfaces has been a great and long-term interest but challenge for both experimentalists and theorists. Even though tremendous advances have made through numerous techniques, significant uncertainties relating to the reaction intermediates and reaction mechanism remain. The problem is further complicated when Solid-Solid heterointerfaces have been formed either through electrodeposition or de-alloying, due to unclear interface and surface structures.
In this talk, I will review the methodologies we have recently developed to de-convolute those effects. Using monolayer layer (hydroxy)oxide-metal interface as an example, I will demonstrate how to characterize the stable phases under various electrochemical conditions. As a case study, I will show the bi-functional role of the interface in promoting hydrogen evolution reaction. As another example, I will show the development of the metal-metal interface during the de-alloying process of Pt-based alloy electrocatalysts. If time permits, I will further discuss the implication of our work for the understanding of a puzzling phenomenon in heterogeneous catalysis, i.e. the traditional strong-metal support interaction. Finally, I will show the applications of these understandings for the design of new catalysts with improved performances for electrolysis and fuel cell applications.
||Hefei National Laboratory for Physical Sciences at the Microscale|
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