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PublicationPhysical Review Letters
Year2011
Volume106
Pages046103
International

c(2 x 2) Water-Hydroxyl Layer on Cu(110): A Wetting Layer Stabilized by Bjerrum Defects

Authors:Matthew Forster , Rasmita Raval , Andrew Hodgson , Javier Carrasco Rodríguez, Angelos Michaelides
Groups of research:Modeling for Theoretical Catalysis
Understanding the composition and stability of mixed water-hydroxyl layers is a key step in describing wetting and how surfaces respond to redox processes. Here we show that, instead of forming a complete hydrogen bonding network, structures containing an excess of water over hydroxyl are stabilized on Cu (110) by forming a distorted hexagonal network of water-hydroxyl trimers containing Bjerrum defects. This arrangement maximizes the number of strong bonds formed by water donation to OH and provides uncoordinated OH groups able to hydrogen bond multilayer water and nucleate growth.
Keywords:NEAR-AMBIENT CONDITIONS, PARTIAL DISSOCIATION, METAL-SURFACES, ADSORPTION, CHEMISTRY, PLATINUM, PT(111)
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