Density functional theory study of benzene adsorption on CuCl(111) surface

Cuihua Xuebao / Chinese Journal of Catalysis

Volumn 29, Issue 8, 2008, Pages 748-752

  Chen, Wenkai ^a   Wang, Xia ^a   Chen, Zhanhong ^a,b   Lu, Chunhai ^c   Zheng, Jinde ^a  

^a FUZHOU UNIVERSITY   (China)

^b Fujian Education College   (China)

^c Key Laboratory of Applied Nuclear Techniques in Geosciences   (China)

Author keywords

Adsorption; Benzene; Cuprous chloride; Density functional theory; Slab model

Indexed keywords

ADSORPTION; BENZENE; COPPER; COPPER COMPOUNDS; THREE DIMENSIONAL;

3D ELECTRONS; ADSORPTION ENERGIES; AROMATIC BONDS; BACK DONATIONS; BEFORE AND AFTER; BENZENE ADSORPTIONS; BONDING ORBITALS; CUPROUS CHLORIDE; DENSITY FUNCTIONAL THEORY CALCULATIONS; DENSITY OF STATES; HOLLOW SITES; PHYSICAL ADSORPTIONS; SLAB MODEL;

DENSITY FUNCTIONAL THEORY;

EID: 54549092237     PISSN: 02539837     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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