DFT study of adsorption and dissociation behavior of H 2 S on Fe-doped graphene

Applied Surface Science

Volumn 317, Issue , 2014, Pages 511-516

  Zhang, Hong Ping ^a   Luo, Xue Gang ^a   Song, Hong Tao ^b   Lin, Xiao Yan ^a   Lu, Xiong ^c   Tang, Youhong ^d  

^a SOUTHWEST UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b RESEARCH CENTER OF LASER FUSION   (China)

^c SOUTHWEST JIAOTONG UNIVERSITY   (China)

^d FLINDERS UNIVERSITY   (Australia)

Author keywords

DFT; Fe doped graphene; Hydrogen sulfide

Indexed keywords

ATOMS; DENSITY FUNCTIONAL THEORY; DESULFURIZATION; HYDROGEN SULFIDE; IRON COMPOUNDS; PLATINUM COMPOUNDS; SULFUR COMPOUNDS; SULFUR DETERMINATION;

ADSORPTION ENERGIES; DENSITY DIFFERENCE; DENSITY OF STATE; FE-DOPED; GAS DETECTION; GAS MOLECULES; GRAPHENE-BASED SENSORS; INTERACTION MECHANISMS;

GRAPHENE;

EID: 84908211747     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2014.08.141     Document Type: Article

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