Effects of Stone-Wales defect upon adsorption of formaldehyde on graphene sheet with or without Al dopant: A first principle study

Surface Science

Volumn 605, Issue 9-10, 2011, Pages 930-933

  Qin, Xian ^a   Meng, Qingyuan ^a   Zhao, Wei ^a  

^a HARBIN INSTITUTE OF TECHNOLOGY   (China)

Author keywords

Al dopant; Chemical sensor; Density functional theory (DFT); H 2CO; Stone Wales (SW) defect

Indexed keywords

ADSORPTION MECHANISM; AL DOPANT; C ATOMS; CO COMPLEXES; CO MOLECULE; DEFECT COMPLEX; DENSITY FUNCTIONAL THEORY (DFT); DENSITY OF STATE; FIRST-PRINCIPLE STUDY; GAS DETECTION; GRAPHENE SHEETS; H 2CO; ORBITAL HYBRIDIZATION; STONE-WALES (SW) DEFECT; STONE-WALES DEFECTS; VIA DENSITY;

ADSORPTION; ALUMINUM; BINDING ENERGY; CHARGE TRANSFER; CHEMICAL SENSORS; CHEMISORPTION; COMPLEXATION; DEFECTS; DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); FORMALDEHYDE; GRAPHENE; ION EXCHANGE; NUCLEAR ENERGY; POTENTIAL ENERGY;

DEFECT DENSITY;

EID: 79953292198     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.susc.2011.02.006     Document Type: Article

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