Open AccessFirst-principles Studies of Formaldehyde Molecule Adsorption on Graphene Modified with Vacancy, -OH, -CHO and -COOH Group
Author(s) -
Meini Yuan,
Xiaojing He,
Hehe Chen
Publication year - 2017
Publication title -
destech transactions on engineering and technology research
Language(s) - English
Resource type - Journals
ISSN - 2475-885X
DOI - 10.12783/dtetr/apetc2017/11405
Subject(s) - graphene , vacancy defect , molecule , density functional theory , adsorption , ab initio , computational chemistry , binding energy , group (periodic table) , formaldehyde , materials science , chemistry , crystallography , nanotechnology , organic chemistry , atomic physics , physics