Theoretical study of Au nV-CO, n 1-14: The dopant vanadium enhances CO adsorption on gold clusters

Journal of Chemical Physics

Volumn 137, Issue 16, 2012, Pages

  Nhat, Pham Vu ^a,b   Tai, Truong Ba ^a   Nguyen, Minh Tho ^a,c  

^a UNIVERSITY OF LEUVEN   (Belgium)

^b CAN THO UNIVERSITY   (Viet Nam)

^c INSTITUTE FOR COMPUTATIONAL SCIENCE AND TECHNOLOGY   (Viet Nam)

Author keywords

[No Author keywords available]

Indexed keywords

B3LYP FUNCTIONALS; BACK DONATION; CO ADSORPTION; D ORBITALS; DENSITY FUNCTIONALS; FREQUENCY SHIFT; GOLD CLUSTERS; ORBITALS; THEORETICAL STUDY;

ADSORPTION; BINDING ENERGY; DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); GOLD; VANADIUM COMPOUNDS;

GOLD COMPOUNDS;

EID: 84868358079     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4761892     Document Type: Article

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