Comparative Electrocatalysis of Hydrogen Production and Oxidation: Technetium versus Rhenium Tris(thiolate) Complexes
Xuelian Li,
Yingke Wang,
Cheng Xu
et al.
Abstract:The development of an efficient catalyst that can selectively activate and generate hydrogen molecules is in urgent demand. Inspired by the 5d rhenium‐tris(thiolate) complex that is capable of catalytically producing and oxidizing H2, the mechanisms of electrocatalytic H2 oxidation (HOR) and evolution (HER) catalyzed by the 4d technetium‐tri(thiolate) analogs, [TcL3] (L = diphenylphosphinobenzenethiolate, a noninnocent ligand), were investigated by DFT calculations, aiming at elucidating the role of the metal … Show more
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