The acid-base and redox reactivity of CeO2 nanoparticles: Influence of the Hubbard U term in DFT + U studies

Surface Science

Volumn 648, Issue , 2016, Pages 212-219

  Boronat, Mercedes ^a   López Ausens, Tirso ^a   Corma, Avelino ^a  

^a CSIC   (Spain)

Author keywords

Acid base; Ceria; DFT; Heterogeneous catalysis; Nanoparticles; Redox

Indexed keywords

ADSORPTION; CATALYSIS; CERIUM COMPOUNDS; DEFECTS; MOLECULAR OXYGEN; OXYGEN VACANCIES; VACANCIES;

ACID BASE; ADSORPTION AND REACTIONS; OPTIMIZED GEOMETRIES; OXYGEN VACANCY DEFECTS; REDOX; REDOX REACTIVITY; SMALL MOLECULES; WATER ADSORPTION;

NANOPARTICLES;

EID: 84959300045     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2015.10.047     Document Type: Article

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