Open AccessDensity functional theory study of Mobius boron-carbon-nitride as potential CH 4 , H 2 S, NH 3 , COCl 2 and CH 3 OH gas sensor
Author(s) -
Mohammad Tanvir Ahmed,
Shariful Islam,
Farid Ahmed
Publication year - 2022
Publication title -
royal society open science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.84
H-Index - 51
ISSN - 2054-5703
DOI - 10.1098/rsos.220778
Subject(s) - density functional theory , boron nitride , band gap , hydrogen , methanol , materials science , raman spectroscopy , methane , electronic structure , carbon nitride , boron , adsorption , chemistry , computational chemistry , nanotechnology , physics , organic chemistry , optoelectronics , optics , photocatalysis , catalysis