Adsorption of CH 4 on nitrogen- and boron-containing carbon models of coal predicted by density-functional theory

Applied Surface Science

Volumn 285, Issue PARTB, 2013, Pages 190-197

  Liu, Xiao Qiang ^a   Xue, Ying ^a   Tian, Zhi Yue ^a   Mo, Jing Jing ^a   Qiu, Nian Xiang ^a   Chu, Wei ^b   Xie, He Ping ^b  

^a Sichuan University   (China)

^b SICHUAN UNIVERSITY   (China)

Author keywords

Adsorption; Coal models; DFT; Nitrogen Boron containing graphenes

Indexed keywords

ADSORPTION; ATOMS; BINDING ENERGY; BORON; CHEMICAL BONDS; COAL; COAL DEPOSITS; DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); ELECTRONEGATIVITY; METHANE; NITROGEN;

ADSORPTION ENERGIES; ADSORPTION SITE; BORON-CONTAINING; COAL MODELS; ELECTRON ACCEPTOR; GRAPHENES; PHYSICAL ADSORPTION; STRUCTURAL HETEROGENEITY;

GRAPHENE;

EID: 84887044450     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2013.08.035     Document Type: Article

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