Please use this identifier to cite or link to this item: https://doi.org/10.1063/1.3486682
Title: Strain effects on hydrogen storage capability of metal-decorated graphene: A first-principles study
Authors: Zhou, M.
Lu, Y. 
Zhang, C. 
Feng, Y.P. 
Issue Date: 6-Sep-2010
Citation: Zhou, M., Lu, Y., Zhang, C., Feng, Y.P. (2010-09-06). Strain effects on hydrogen storage capability of metal-decorated graphene: A first-principles study. Applied Physics Letters 97 (10) : -. ScholarBank@NUS Repository. https://doi.org/10.1063/1.3486682
Abstract: We report an investigation on strain-engineered adsorption of metal atoms on graphene and hydrogen storage capabilities of metal-decorated graphene by using first-principles approach based on density functional theory. We show that an applied strain not only stabilizes the supported metal atoms and prevents them from clustering but further increases the hydrogen storage capacity. Specifically, a tensile strain of 10% in graphene increases the adsorption energy of Li (Ti) atom by around 75% (71%) and the gravimetric density of hydrogen storage up to 15.4 wt % (9.5 wt %), with a binding energy of ∼0.2 eV/ H2. © 2010 American Institute of Physics.
Source Title: Applied Physics Letters
URI: http://scholarbank.nus.edu.sg/handle/10635/98030
ISSN: 00036951
DOI: 10.1063/1.3486682
Appears in Collections:Staff Publications

Show full item record
Files in This Item:
There are no files associated with this item.

SCOPUSTM   
Citations

66
checked on Sep 20, 2018

WEB OF SCIENCETM
Citations

57
checked on Sep 5, 2018

Page view(s)

42
checked on Sep 7, 2018

Google ScholarTM

Check

Altmetric


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.