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Effect of lattice strain on hydrogen diffusion in Pd: A density functional theory study

✍ Scribed by Grönbeck, Henrik; Zhdanov, Vladimir P.


Book ID
125532429
Publisher
The American Physical Society
Year
2011
Tongue
English
Weight
204 KB
Volume
84
Category
Article
ISSN
1098-0121

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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–