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dc.contributor.authorZheng, Y.-
dc.contributor.authorJiao, Y.-
dc.contributor.authorJaroniec, M.-
dc.contributor.authorQiao, S.-
dc.identifier.citationAngewandte Chemie International Edition, 2015; 54(1):52-65-
dc.description.abstractThe 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.-
dc.description.statementofresponsibilityYao Zhen, Yan Jiao, Mietek Jaroniec, and Shi Zhang Qiao-
dc.rights© 2015 Wiley-VCH Verlag GmBH & Co. KGaA, Weinheim-
dc.subjectdensity-functional theory-
dc.subjecthydrogen-evolution reaction-
dc.subjectmechanistic studies-
dc.titleAdvancing the electrochemistry of the hydrogen-evolution reaction through combining experiment and theory-
dc.typeJournal article-
dc.identifier.orcidZheng, Y. [0000-0002-2411-8041]-
dc.identifier.orcidJiao, Y. [0000-0003-1329-4290]-
dc.identifier.orcidQiao, S. [0000-0002-1220-1761] [0000-0002-4568-8422]-
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Chemical Engineering publications

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