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Advancing the Electrochemistry of the Hydrogen‐Evolution Reaction through Combining Experiment and Theory
Author(s) -
Zheng Yao,
Jiao Yan,
Jaroniec Mietek,
Qiao Shi Zhang
Publication year - 2015
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201407031
Subject(s) - electrochemistry , electrocatalyst , electron transfer , quantum chemistry , nanotechnology , chemical physics , cornerstone , chemistry , reaction mechanism , water splitting , materials science , computational chemistry , catalysis , electrode , organic chemistry , art , visual arts , photocatalysis
The electrocatalytic hydrogen‐evolution reaction (HER), as the main step of water splitting and the cornerstone of exploring the mechanism of other multi‐electron transfer electrochemical processes, is the subject of extensive studies. A large number of high‐performance electrocatalysts have been developed for HER accompanied by recent significant advances in exploring its electrochemical nature. Herein we present a critical appraisal of both theoretical and experimental studies of HER electrocatalysts with special emphasis on the electronic structure, surface (electro)chemistry, and molecular design. It addresses the importance of correlating theoretical calculations and electrochemical measurements toward better understanding of HER electrocatalysis at the atomic level. Fundamental concepts in the computational quantum chemistry and its relation to experimental electrochemistry are also presented along with some featured examples.