| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382760 | Chemical Physics Letters | 2012 | 7 Pages |
Abstract
⺠DFT study of the C:H:O methanol electro-oxidation intermediate on Pt including water. ⺠The coadsorbed water affects stability and vibrational frequencies of COH and HCO. ⺠HCO, which is most stable on a bridge site, is the only stable form under water layer. ⺠HCO on a bridge site, under water layer show no CO vibrational frequency. ⺠The lack of CO frequency makes it hard to distinguish HCO from COH experimentally.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
LÃney Árnadóttir, Eric M. Stuve, Hannes Jónsson,