Open AccessEA Density Functional Study of the Adsorption of Carbon Dioxide Molecule on Graphene
Author(s) -
Diksha Thakur,
N.P. Barde,
P.P. Bardapurkar,
Rajendra S. Khairnar,
Badrinarayan Barwale Mahavidyala
Publication year - 2013
Publication title -
ukrainian journal of physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.213
H-Index - 17
eISSN - 2071-0194
pISSN - 2071-0186
DOI - 10.15407/ujpe58.09.0841
Subject(s) - graphene , physisorption , adsorption , density functional theory , molecule , materials science , chemical physics , ab initio , homo/lumo , bond length , computational chemistry , nanotechnology , chemistry , organic chemistry