Loading...
Please wait, while we are loading the content...
Density-functional theory study on the arrangement of adsorbed formate molecules on Cu ( 110 )
| Content Provider | Semantic Scholar |
|---|---|
| Author | Atodiresei, Nicolae Schroeder, Kurt Blügel, Stefan |
| Copyright Year | 2007 |
| Abstract | The interaction of formate molecules with the Cu 110 surface is investigated using density-functional theory calculations. We find that in the most stable structures for low and high coverage, the formate molecules are sitting perpendicular to the Cu 110 surface, and they are adsorbed in a bridge position, i.e., the OuCuO group forms a bridge between two Cu atoms. Other tested configurations are less stable by at least 0.45 eV per formate molecule. In the case of an oxygen-precovered Cu 110 surface with high formate coverage two molecules in a 2 2 unit cell we find a very similar adsorption geometry. We find an attractive interaction between adsorbed formate molecules on the copper surface. Our results are consistent with experimental results by scanning tunneling microscopy and photoelectron diffraction. |
| File Format | PDF HTM / HTML |
| Alternate Webpage(s) | http://juser.fz-juelich.de/record/56795/files/FZJ-56795.pdf |
| Language | English |
| Access Restriction | Open |
| Subject Keyword | Ability to Sit question Copper Crystal structure Density functional theory Formates Functional theories of grammar Microscopy, Scanning Tunneling Oxygen Photoelectric effect Tunneling protocol |
| Content Type | Text |
| Resource Type | Article |
