Adsorption and oxidation of SO 2 by graphene oxides: A van der Waals density functional theory study

Applied Surface Science

Volumn 324, Issue , 2015, Pages 61-67

  Zhang, Huijuan ^a   Cen, Wanglai ^b   Liu, Jie ^c   Guo, Jiaxiu ^b   Yin, Huaqiang ^b   Ning, Ping ^a  

^a KUNMING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b SICHUAN UNIVERSITY   (China)

^c CHENGDU UNIVERSITY OF INFORMATION TECHNOLOGY   (China)

Author keywords

Carbon materials; Desulfurization; First principles; H bonding interaction

Indexed keywords

ACTIVATION ANALYSIS; ADSORPTION; CHARGE TRANSFER; CHEMICAL ACTIVATION; CHEMICAL BONDS; DESULFURIZATION; GRAPHENE; OXIDATION; TEMPERATURE; VAN DER WAALS FORCES;

CARBON MATERIAL; CATALYTIC REMOVAL; CHARGE DIFFERENCE; DENSITY FUNCTIONAL THEORY STUDIES; ELECTRON-LOCALIZATION-FUNCTION ANALYSIS; FIRST PRINCIPLES; H-BONDING INTERACTION; REACTION BARRIERS;

DENSITY FUNCTIONAL THEORY;

EID: 84920642722     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2014.10.087     Document Type: Article

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