Electronic structure of IrO2: The role of the metal d orbitals

Journal of Physical Chemistry C

Volumn 119, Issue 21, 2015, Pages 11570-11577

  Ping, Yuan ^a,b   Galli, Giulia ^c   Goddard, William A ^b  

^a LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^b CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^c UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINARY ALLOYS; CATALYSTS; ELECTRONIC STRUCTURE; GROUND STATE; LOW TEMPERATURE EFFECTS; MAGNETISM; RUTHENIUM ALLOYS; RUTHENIUM COMPOUNDS; TEMPERATURE; TEMPERATURE MEASUREMENT;

ACIDIC CONDITIONS; ANTIFERRO-MAGNETIC INTERACTIONS; DENSITY FUNCTIONALS; FERROMAGNETIC COUPLING; HYBRID FUNCTIONALS; LOW-TEMPERATURE MEASUREMENTS; MAGNETIC GROUND STATE; OXYGEN EVOLUTION REACTION;

DENSITY FUNCTIONAL THEORY;

EID: 84930681260     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.5b00861     Document Type: Article

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