Electro-oxidation of water on hematite: Effects of surface termination and oxygen vacancies investigated by first-principles

Surface Science

Volumn 640, Issue , 2015, Pages 45-49

  Hellman, Anders ^a   Iandolo, Beniamino ^a,b   Wickman, Björn ^a   Grönbeck, Henrik ^a   Baltrusaitis, Jonas ^c  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

^b TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^c Lehigh University   (United States)

Author keywords

DFT; Electrochemistry; Hematite; Oxidation; Water

Indexed keywords

CALCULATIONS; ELECTROCHEMICAL OXIDATION; ELECTROCHEMISTRY; ELECTRODES; ELECTROOXIDATION; HEMATITE; OXIDATION; OXYGEN; WATER;

DFT; FIRST PRINCIPLE CALCULATIONS; FIRST PRINCIPLES; OXYGEN EVOLUTION REACTION; REVERSIBLE HYDROGEN ELECTRODES; SURFACE TERMINATION; THRESHOLD POTENTIAL; WATER OXIDATION;

OXYGEN VACANCIES;

EID: 84946491541     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2015.03.022     Document Type: Article

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