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Influence of Interface Structure on the Properties of ZnO/Graphene Composites: A Theoretical Study by Density Functional Theory Calculations

✍ Scribed by Geng, Wei; Zhao, Xuefei; Liu, Huanxiang; Yao, Xiaojun


Book ID
120303734
Publisher
American Chemical Society
Year
2013
Tongue
English
Weight
613 KB
Volume
117
Category
Article
ISSN
1932-7447

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Potassium influence in the adsorption of
✍ A. Tapia; C. Acosta; R.A. Medina-Esquivel; G. Canto πŸ“‚ Article πŸ“… 2011 πŸ› Elsevier Science 🌐 English βš– 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 (H–