Publication Date:
2013-01-04
Description:
Author(s): K. M. Fair, X. Y. Cui, L. Li, C. C. Shieh, R. K. Zheng, Z. W. Liu, B. Delley, M. J. Ford, S. P. Ringer, and C. Stampfl Structural stability and hydrogen adsorption capacity are two key quantities in evaluating the potential of metal-adatom decorated graphene for hydrogen storage and related devices. We have carried out extensive density functional theory calculations for the adsorption of hydrogen molecules on 12 di... [Phys. Rev. B 87, 014102] Published Thu Jan 03, 2013
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
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