CO adsorption on MgO(0 0 1) surface with oxygen vacancy and its low-coordinated surface sites: Embedded cluster model density functional study employing charge self-consistent technique

Surface Science

Volumn 525, Issue 1-3, 2003, Pages 13-23

  Xu, Yijun ^a   Li, Junqian ^a,b   Zhang, Yongfan ^a   Chen, Wenkai ^a  

^a FUZHOU UNIVERSITY   (China)

^b FUJIAN INSTITUTE OF RESEARCH ON THE STRUCTURE OF MATTER   (China)

Author keywords

Carbon monoxide; Clusters; Density functional calculations; Magnesium oxides; Oxygen

Indexed keywords

BOND STRENGTH (CHEMICAL); CARBON MONOXIDE; CATALYSIS; ELECTRONS; MAGNESIA; OXYGEN; PROBABILITY DENSITY FUNCTION; SURFACE CHEMISTRY;

SURFACE SITES;

GAS ADSORPTION;

EID: 0037429208     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(02)02566-9     Document Type: Article

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