An interaction model for OH+H2O-mixed and pure H2O overlayers adsorbed on Pt(111)
作者： G. S. Karlberg , G. Wahnström
DOI: 10.1063/1.1900088
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摘要: A model potential for the adsorbate–adsorbate interaction among OH and H2O molecules adsorbed on a Pt(111) surface has been developed solely based first-principle calculations. By combining this directional-dependent lateral with lattice of Ising type, large length scale structure calculations can be made. The strength different hydrogen bonds analyzed in detail from potential. It is found that bond between stronger than two (0.4 eV per pair as compared to 0.2 pair, respectively). Via computed chemical water mixed OH+H2O overlayers uptake function oxygen precoverage determined. results compare very well recent experiments.
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