| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5422426 | Surface Science | 2013 | 15 Pages |
Abstract
⺠Atom-atom potentials of flexible water on SrTiO3 and SrZrO3 (001) were developed. ⺠CMD study of water on these surfaces at 200 300 400 K and ½, 1 ML coverages was done. ⺠Water on both MO2-terminations of SrMO3 (001) at ½ ML is nonuniformly distributed. ⺠Water on SrO-terminated SrMO3 (001) at ½ ML is distributed uniformly. ⺠Frequencies of OH-stretching components characterize H-bonds, other interactions.
Keywords
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
S.I. Lukyanov, A.V. Bandura, R.A. Evarestov,