| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1298707 | Solid State Ionics | 2008 | 4 Pages |
Abstract
The adsorption of a water molecule on the (001) surface of SrTiO3 is studied by ab initio molecular-dynamics simulations. The microscopic process of the dissociative adsorption near a surface oxygen vacancy is examined by the population analysis in detail. Also, the dynamic behavior of a proton near the (001) surfaces of SrTiO3 and SrCeO3 is investigated. It is shown that dopant ions near the surface are influential for the proton absorption.
Related Topics
Physical Sciences and Engineering
Chemistry
Electrochemistry
Authors
Fuyuki Shimojo,