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Water-hydroxyl phases on an open metal surface: breaking the ice rules Matthew Forster,a

Summary: Water-hydroxyl phases on an open metal surface: breaking the ice rules
Matthew Forster,a
Rasmita Raval,a
Javier Carrasco,b
Angelos Michaelidesc
and Andrew Hodgson*a
Received 10th June 2011, Accepted 28th July 2011
DOI: 10.1039/c1sc00355k
Hydroxyl is a key reaction intermediate in many surface catalyzed redox reactions, yet establishing the
phase diagram for water/hydroxyl adsorption on metal surfaces remains a considerable challenge for
interfacial chemistry. While the structures formed on close packed metal surfaces have been discussed
widely, the phase diagram on more reactive, open metal surfaces, is complex and the H-bonding
structures are largely unknown. Based on scanning tunnelling microscopy and density functional
theory calculations, we report the phase diagram for water/hydroxyl on Cu(110), providing a complete
molecular description of the complex hydrogen bonding structures formed. Three distinct phases are
observed as the temperature is decreased and the water/hydroxyl ratio increased: pure OH dimers,
extended 1H2O:1OH chains, aligned along the close-packed Cu rows, and finally a distorted 2D
hexagonal c(2 2) 2H2O:1OH network. None of these phases obey the conventional `ice rules', instead
their structures can be understood based on weak H donation by hydroxyl, which favours H-bonding
structures dominated by water donation to hydroxyl, and competition between hydroxyl adsorption


Source: Alavi, Ali - Department of Chemistry, University of Cambridge


Collections: Chemistry