Open AccessDispersion-corrected density functional theory comparison of hydrogen adsorption on boron-nitride and carbon nanotubes
Author(s) -
Sridevi Krishnan,
Rajasekarakumar Vadapoo,
Kevin E. Riley,
Julian P. Velev
Publication year - 2011
Publication title -
physical review. b, condensed matter and materials physics
Language(s) - English
Resource type - Journals
eISSN - 1538-4489
pISSN - 1098-0121
DOI - 10.1103/physrevb.84.165408
Subject(s) - boron nitride , density functional theory , materials science , carbon nanotube , adsorption , hydrogen , graphene , binding energy , perturbation theory (quantum mechanics) , dispersion (optics) , hydrogen storage , selective chemistry of single walled nanotubes , computational chemistry , chemical physics , chemistry , nanotechnology , optical properties of carbon nanotubes , atomic physics , nanotube , quantum mechanics , physics , composite material , organic chemistry , alloy