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Computational Materials Science

Volumn 95, Issue , 2014, Pages 113-120

Theoretical insights into the adsorption of monatomic Ag on the (2 × 2) BiOCl (0 0 1) surfaces

(6) Zhang, Xiaochao a Li, Guoqi a Fan, Caimei a Ding, Guangyue a Wang, Yawen a Han, Peide a

a TAIYUAN UNIVERSITY OF TECHNOLOGY (China)

Author keywords

Adsorption energy; BiOCl (0 0 1) surfaces; Electronic properties; First principles; Work function

Indexed keywords

CALCULATIONS; DIPOLE MOMENT; ELECTRONIC PROPERTIES; SILVER; WORK FUNCTION;

ADSORPTION ENERGIES; CHARGE TRANSPORT MECHANISMS; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; INTERFACIAL CHARGE TRANSFER; MICROSCOPIC STRUCTURES; PHOTOCATALYTIC REACTIONS; PHOTOCATALYTIC SYSTEMS;

ADSORPTION; ELECTRONIC PROPERTIES;

EID: 84905705244 PISSN: 09270256 EISSN: None Source Type: Journal
DOI: 10.1016/j.commatsci.2014.07.020 Document Type: Article

Times cited : (15)

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