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

Forster, Matthew; Raval, Rasmita; Hodgson, Andrew; Carrasco, Javier; Michaelides, Angelos

doi:10.1103/PhysRevLett.106.046103

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

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Carrasco, Javier
London Centre for Nanotechnology and Department of Chemistry, University College London;
Theory, Fritz Haber Institute, Max Planck Society;

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Forster, M., Raval, R., Hodgson, A., Carrasco, J., & Michaelides, A. (2011). c(2 x 2) Water-Hydroxyl Layer on Cu(110): A Wetting Layer Stabilized by Bjerrum Defects. Physical Review Letters, 106: 046103. doi:10.1103/PhysRevLett.106.046103.

Zitierlink: https://hdl.handle.net/11858/00-001M-0000-0011-2D4F-2

Zusammenfassung

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