Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5383521 | Chemical Physics Letters | 2012 | 6 Pages |
Abstract
⺠We propose a simple modified vdW-DF approach for water wetting on metal surfaces. ⺠A mixed exchange functional is employed for different type of interaction. ⺠It significantly improves the description of water adsorption on metal surfaces. ⺠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
Ikutaro Hamada, Sheng Meng,