Ethanol adsorption on MgO surface with and without defects from a theoretical point of view

Surface Science

Volumn 603, Issue 8, 2009, Pages 1093-1098

  Branda, María M ^a   Rodríguez, Angel Horacio ^b   Belelli, Patricia G ^a   Castellani, Norberto J ^a  

^a UNIVERSIDAD NACIONAL DEL SUR   (Argentina)

^b UNIVERSIDAD NACIONAL DE LA PATAGONIA SAN JUAN BOSCO   (Argentina)

Author keywords

DFT; Ethanol adsorption; MgO

Indexed keywords

ADSORPTION; CHARGE TRANSFER; CHEMISORPTION; ETHANOL; ION EXCHANGE; IONS; LANDFORMS; OXYGEN; PROBABILITY DENSITY FUNCTION; SOIL CONSERVATION;

ADSORPTION ENERGIES; ADSORPTION SITES; CLUSTER APPROACHES; CO-ORDINATION NUMBERS; DFT; DISSOCIATIVE CHEMISORPTIONS; MGO; MGO SUBSTRATES; MGO SURFACES; MGO(1 0 0); MOLECULE SURFACES; OH GROUPS; SINGLE BONDS; TERRACE SITES; THEORETICAL POINTS;

SURFACE DEFECTS;

EID: 63749129797     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2009.02.021     Document Type: Article

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