Role of Dihydride and Dihydrogen Complexes in Hydrogen Evolution Reaction on Single-Atom Catalysts.

ABSTRACT: The hydrogen evolution reaction (HER) has a key role in electrochemical water splitting. Recently a lot of attention has been dedicated to HER from single atom catalysts (SACs). The activity of SACs in HER is usually rationalized or predicted using the original model proposed by Nørskov where the free energy of a H atom adsorbed on an extended metal surface M (formation of an MH intermediate) is used to explain the trends in the exchange current for HER. However, SACs differ substantially from metal surfaces and can be considered analogues of coordination compounds. In coordination chemistry, at variance with metal surfaces, stable dihydride or dihydrogen complexes (HMH) can form. We show that the same can occur on SACs and that the formation of stable HMH intermediates, in addition to the

SUBMITTER: Di Liberto G 

PROVIDER: S-EPMC8662730 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature