GGA+U method from first principles: Application to reduction-oxidation properties in ceria-based oxides

Journal of Materials Science

Volumn 47, Issue 21, 2012, Pages 7542-7548

  Peles, Amra ^a  

^a UNITED TECHNOLOGIES RESEARCH CENTER   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AUTOMOTIVE APPLICATIONS; CATALYTIC PROCESS; CERIA-BASED OXIDES; EXCHANGE-CORRELATION FUNCTIONALS; GENERALIZED GRADIENT APPROXIMATIONS; REDUCTION-OXIDATION; STRONGLY CORRELATED ELECTRONS; VACANCY FORMATION;

CATALYTIC CONVERTERS; HYDROGEN PRODUCTION; INDUSTRIAL APPLICATIONS; OXYGEN SUPPLY;

REDUCTION;

EID: 84865229109     PISSN: 00222461     EISSN: 15734803     Source Type: Journal    
DOI: 10.1007/s10853-012-6423-1     Document Type: Article

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