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Density functional theory calculations of adsorption of hydrogen fluoride on titanium embedded graphene

โœ Scribed by Song, E.H.; Zhu, Y.F.; Jiang, Q.

Book ID
120971071
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
1020 KB
Volume
546
Category
Article
ISSN
0040-6090

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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 (Hโ€“