Examination of oxygen vacancy formation in Mn-Doped CeO2 (111) using DFT+U and the hybrid functional HSE06

Langmuir

Volumn 29, Issue 32, 2013, Pages 10120-10131

  Krcha, Matthew D ^a   Janik, Michael J ^a  

^a The Pennsylvania State University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DEGREE OF REDUCTION; DFT + U CALCULATIONS; FORMATION ENERGIES; HYBRID FUNCTIONAL; MIXED OXIDE SYSTEMS; REDUCING ENVIRONMENT; SULFUR ADSORPTION; VACANCY FORMATION;

CHEMICAL INDUSTRY; ELECTRONIC STRUCTURE; FLUORSPAR; MANGANESE OXIDE; OXIDATION; OXYGEN VACANCIES; REDOX REACTIONS;

MANGANESE;

EID: 84881583127     PISSN: 07437463     EISSN: 15205827     Source Type: Journal    
DOI: 10.1021/la401747n     Document Type: Article

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