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Using first-principles Density Functional Theory calculations, we investigated coadsorption of hydrazine (N2H4) and OH on Ni(111) surface. Two types of N2H4 conformations: anti and cis-conformer, with coadsorbed OH on several high symmetry sites on Ni(111) surface were studied. We found that coadsorption with cis-conformer N2H4 significantly modifies OH site preferences while such modification is...
We investigate the electronic structures of Fe, Co and Ni nanowires on Cu(111) within the density functional theory. Among these nanowires, we find that the Fe nanowires exhibit the largest magnetic moment. For the Fe nanowires, we also calculate the electron band structure and the corresponding wave functions in real space. We find some spin polarized electron states localized along Fe nanowires...
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