The interplay between surface-water and hydrogen bonding in a water adlayer on Pt(111) and Ag(111).
نویسندگان
چکیده
The structure of a water adlayer on a Pt(111) surface is investigated by means of extensive first-principles calculations. Allowing for proton disorder, the ground state energy for the [Formula: see text] structure can be found. This results from an interplay between water/metal chemical bonding and the hydrogen bonding of the water network. This picture is supported by substituting Pt(111) with Ag(111): the almost inert surface allows for the reconstruction of the hydrogen network.
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ورودعنوان ژورنال:
- Journal of physics. Condensed matter : an Institute of Physics journal
دوره 19 24 شماره
صفحات -
تاریخ انتشار 2007