most citedBinding between endohedral Na atoms in Si clathrate I; a first principles study

3 citations · 3 across the 1 of their papers we have counts for

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cond-mat.mtrl-sci2008★ 8 cited

Electron Transfer from Hydrogen Molecule to Au(111) During Dissociative Adsorption: A First-Principles Study

Shigeyuki Takagi, Jun-ichi Hoshino, Hidekazu Tomono +1

We investigate the electron transfer from a dissociatively adsorbed H2 molecule to a Au(111) surface using the first-principles methods. A fractional electron transfers from a mole…

cond-mat.mtrl-sci2008★ 3 cited

Binding between endohedral Na atoms in Si clathrate I; a first principles study

Hidekazu Tomono, Haruki Eguchi, Kazuo Tsumuraya

We investigate the binding nature of the endohedral sodium atoms with the ensity functional theory methods, presuming that the clathrate I consists of a sheaf of one-dimensional co…