Controllable atomistic graphene oxide model and its application in hydrogen sulfide removal

Journal of Chemical Physics

Volumn 139, Issue 19, 2013, Pages

  Huang, Liangliang ^a   Seredych, Mykola ^b   Bandosz, Teresa J ^b   Van Duin, Adri C T ^c   Lu, Xiaohua ^d   Gubbins, Keith E ^a  

^a North Carolina State University   (United States)

^b CITY COLLEGE OF NEW YORK   (United States)

^c The Pennsylvania State University   (United States)

^d NANJING TECH UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AB-INITIO QUANTUM CALCULATIONS; ATOMISTIC MODELS; INITIAL CONCENTRATION; MOLECULAR DYNAMICS SIMULATIONS; REACTIVE ADSORPTION; REACTIVE FORCE FIELD; STRUCTURAL DEPENDENCE; THEORETICAL STUDY;

CALCULATIONS; CARBON DIOXIDE; EXPERIMENTS; FUNCTIONAL GROUPS; GRAPHENE; MIXTURES; MOLECULAR DYNAMICS; MOLECULES;

DESULFURIZATION;

EID: 84903364002     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4832039     Document Type: Article

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