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CO Oxidation at SnO2/Pt3Sn(111) Interfaces
- Source :
- Topics in Catalysis. 61:1458-1464
- Publication Year :
- 2018
- Publisher :
- Springer Science and Business Media LLC, 2018.
-
Abstract
- Segregation induced formation of oxide/metal interfaces can significantly influence the catalytic activity of alloy nanoparticles. One example is Pt3Sn nanoparticles, which are known to segregate into SnOX and an Sn deficient alloy phase during typical operating conditions for CO oxidation. Here, we use density functional theory calculations to investigate CO oxidation over Pt3Sn(111) supported SnO2 and (SnO2)3, representing the initial state of segregation. The results are compared to CO oxidation at an interface between bulk-like SnO2 and Pt3Sn(111). The barrier for CO oxidation via a Mars–van Krevelen mechanism is found to be lower on SnO2 and (SnO2)3 as compared to the bulk-like model. However, the regeneration of the finite systems is associated with higher barriers for O2 dissociation which may become the rate limiting step in the low temperature regime where the metal surface can be assumed to be CO covered.
- Subjects :
- Materials science
010405 organic chemistry
Alloy
Oxide
Nanoparticle
General Chemistry
engineering.material
010402 general chemistry
Heterogeneous catalysis
Rate-determining step
01 natural sciences
Catalysis
Dissociation (chemistry)
0104 chemical sciences
Metal
chemistry.chemical_compound
Chemical engineering
chemistry
visual_art
engineering
visual_art.visual_art_medium
Subjects
Details
- ISSN :
- 15729028 and 10225528
- Volume :
- 61
- Database :
- OpenAIRE
- Journal :
- Topics in Catalysis
- Accession number :
- edsair.doi...........56b9d19d6887bc3e41446c07334ab2e8