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- W2091296334 abstract "Density functional theory with semiempirical dispersion correction has been applied to investigate water monomer adsorption onto the surface of hydrogen-passivated silicon nanowires (h-SiNWs) of different shapes and growth orientations. We find that water adsorption is in the weak physisorption limit, leading to a hydrophobic surface. The adsorption site and orientation are determined by electrostatic interactions involving both the surface and interior atoms of the h-SiNWs and are not affected qualitatively by including the dispersion correction. The barrier for water diffusing on the surface of h-SiNWs depends sensitively on the nanowire facet and growth orientation. The barrier for water rotation is small, which may facilitate water cluster formation on the h-SiNWs." @default.
- W2091296334 created "2016-06-24" @default.
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- W2091296334 date "2011-01-28" @default.
- W2091296334 modified "2023-09-26" @default.
- W2091296334 title "Water adsorption on hydrogen-passivated silicon nanowires from density functional theory with dispersion correction" @default.
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- W2091296334 doi "https://doi.org/10.1103/physrevb.83.033304" @default.
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