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Density functional study of hydrogen adsorption and diffusion on Ni-loaded graphene and graphene oxide

โœ Scribed by Li, Qingzheng; Wang, Houyuan; Xia, Haiping; Wei, Shihao; Yang, Jianhui

Book ID
123620450
Publisher
John Wiley and Sons
Year
2014
Tongue
English
Weight
431 KB
Volume
114
Category
Article
ISSN
0020-7608

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Potassium influence in the adsorption of
Potassium influence in the adsorption of hydrogen on graphene: A density functional theory study
โœ A. Tapia; C. Acosta; R.A. Medina-Esquivel; G. Canto ๐Ÿ“‚ Article ๐Ÿ“… 2011 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 734 KB

The influence of potassium (K) on the hydrogen (H) adsorption on graphene (G) was studied by means of density functional theory with the generalized gradient approximation. The structural parameters, bonding and magnetic properties of one and two H atoms interacting with potassium doped graphene (Hโ€“