CO, CO2and H2 adsorption on ZnO, CeO2, and ZnO/CeO2 surfaces: DFT simulations

Journal of Molecular Modeling

Volumn 20, Issue 6, 2014, Pages

  Reimers, Walter G ^a   Baltanás, Miguel A ^b   Branda, María M ^a  

^a UNIVERSIDAD NACIONAL DEL SUR   (Argentina)

^b UNIVERSIDAD NACIONAL DEL LITORAL   (Argentina)

Author keywords

Adsorption; Carbon dioxide; Carbon monoxide; Ceria; DFT; Hydrogen; Zinc oxide

Indexed keywords

CARBON DIOXIDE; CARBON MONOXIDE; CERIUM OXIDE; HYDROGEN; METHANOL; ZINC OXIDE;

ADSORPTION; ARTICLE; CALCULATION; CHEMICAL REACTION; DENSITY FUNCTIONAL THEORY; ENERGY; PRIORITY JOURNAL; SURFACE PROPERTY; SYNTHESIS;

EID: 84901731670     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-014-2270-0     Document Type: Article

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