Open AccessAb-initio calculations for a realistic sensor: A study of CO sensors based on nitrogen-rich carbon nanotubes
Author(s) -
A. M. Souza,
Alexandre Reily Rocha,
A. Fazzio,
Antônio J. R. da Silva
Publication year - 2012
Publication title -
aip advances
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.421
H-Index - 58
ISSN - 2158-3226
DOI - 10.1063/1.4739280
Subject(s) - carbon nanotube , ab initio , nanoscopic scale , materials science , conductance , adsorption , density functional theory , chemical physics , ab initio quantum chemistry methods , molecular dynamics , nanotechnology , molecule , chemistry , computational chemistry , condensed matter physics , physics , organic chemistry
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