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Phys Rev Lett. 2002 Dec 30;89(27):276102. Epub 2002 Dec 18.

Structure and bonding of water on Pt(111).

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1
FYSIKUM, Stockholm University, Albanova University Center, S-10691 Stockholm, Sweden.

Abstract

We address the adsorption of water on Pt(111) using x-ray absorption, x-ray emission, and x-ray photoelectron spectroscopy along with calculations in the framework of density functional theory. Using the direct relationship between the electronic structure and adsorbate geometry, we show that in the first layer all the molecules bind directly to the surface and to each other through the in-layer H bonds without dissociation, creating a nearly flat overlayer. The water molecules are adsorbed through alternating metal-oxygen (M-O) and metal-hydrogen (M-HO) bonds.

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