First-principles statistical mechanics study of the stability of a sub-nanometer thin surface oxide in reactive environments: CO oxidation at Pd(100)
| dc.creator | Rogal, Jutta | |
| dc.creator | Reuter, Karsten | |
| dc.creator | Scheffler, Matthias | |
| dc.date | 2006-09-05 | |
| dc.date.accessioned | 2026-07-07T07:43:48Z | |
| dc.date.available | 2026-07-07T07:43:48Z | |
| dc.description | We employ a multiscale modeling approach to study the surface structure and composition of a Pd(100) model catalyst in reactive environments. Under gas phase conditions representative of technological CO oxidation (~1 atm, 300-600 K) we find the system on the verge of either stabilizing sub-nanometer thin oxide structures or CO adlayers at the surface. Under steady-state operation this suggests the presence or continuous formation and reduction of oxidic patches at the surface, which could be key to understand the observable catalytic function. | |
| dc.description | 4 pages including 2 figures; related publications can be found at http://www.fhi-berlin.mpg.de/th/th.html | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0609083 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0609083 | |
| dc.identifier | Phys. Rev. Lett. 98, 046101(2007) | |
| dc.identifier | doi:10.1103/PhysRevLett.98.046101 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/122967 | |
| dc.subject | Materials Science | |
| dc.title | First-principles statistical mechanics study of the stability of a sub-nanometer thin surface oxide in reactive environments: CO oxidation at Pd(100) | |
| dc.type | text |