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- W1972372495 abstract "Density-functional theory is used to determine the atomic structure and the zero-bias conductance of Pt nanocontacts upon CO addition. Three stable atomic configurations of the nanocontacts, in conjunction with a statistical analysis of their electrical response, are enough to explain the main features of the experimental conductance histograms. Remarkably, the role of nonlocal effects when approaching the exchange-correlation potential within density-functional theory turns out to be crucial for CO molecular-based systems. Finally, a comparison with H2 molecule addition on Pt nanocontacts is presented." @default.
- W1972372495 created "2016-06-24" @default.
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- W1972372495 date "2009-07-06" @default.
- W1972372495 modified "2023-10-17" @default.
- W1972372495 title "Influence of CO in the structural and electrical properties of Pt nanocontacts: Comparison with H2 molecule addition" @default.
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- W1972372495 doi "https://doi.org/10.1063/1.3158606" @default.
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