Density functional theory calculations on the adsorption of formaldehyde and other harmful gases on pure, Ti-doped, or N-doped graphene sheets

Applied Surface Science

Volumn 283, Issue , 2013, Pages 559-565

  Zhang, Hong Ping ^a   Luo, Xue Gang ^a   Lin, Xiao Yang ^a   Lu, Xiong ^b   Leng, Yang ^c   Song, Hong Tao ^d  

^a SOUTHWEST UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b SOUTHWEST JIAOTONG UNIVERSITY   (China)

^c HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Hong Kong)

^d RESEARCH CENTER OF LASER FUSION   (China)

Author keywords

DFT; Formaldehyde; N doped grapheme; Ti doped grapheme

Indexed keywords

DENSITY FUNCTIONAL THEORY; DENSITY OF GASES; DOPING (ADDITIVES); FORMALDEHYDE; GAS ABSORPTION; GASES; MOLECULES; TITANIUM COMPOUNDS;

ADSORPTION ENERGIES; DENSITY DIFFERENCE; DENSITY OF STATE; GRAPHENE-BASED SENSORS; HIGH SELECTIVITY; INTERACTION MECHANISMS; N-DOPED; TI DOPED;

GRAPHENE;

EID: 84883157452     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2013.06.145     Document Type: Article

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