Article ID Journal Published Year Pages File Type
5383521 Chemical Physics Letters 2012 6 Pages PDF
Abstract
► We propose a simple modified vdW-DF approach for water wetting on metal surfaces. ► A mixed exchange functional is employed for different type of interaction. ► It significantly improves the description of water adsorption on metal surfaces. ► It appears to be successful in describing water wetting on Cu(1 1 0) and Ru(0 0 0 1).
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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