2018
DOI: 10.1021/jacs.7b13624
|View full text |Cite
|
Sign up to set email alerts
|

A Linear Scaling Relation for CO Oxidation on CeO2-Supported Pd

Abstract: Resolving the structure and composition of supported nanoparticles under reaction conditions remains a challenge in heterogeneous catalysis. Advanced configurational sampling methods at the density functional theory level are used to identify stable structures of a Pd8 cluster on ceria (CeO2) in the absence and presence of O2. A Monte Carlo method in the Gibbs ensemble predicts Pd-oxide particles to be stable on CeO2 during CO oxidation. Computed potential energy diagrams for CO oxidation reaction cycles are u… Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
2
1
1
1

Citation Types

4
111
0

Year Published

2018
2018
2021
2021

Publication Types

Select...
7

Relationship

0
7

Authors

Journals

citations
Cited by 137 publications
(115 citation statements)
references
References 78 publications
4
111
0
Order By: Relevance
“…Unlike the inert supports, active supports have facile redox properties. Therefore, the high reducibility of the active supports, such as CeO 2 , Fe 2 O 3 , TiO 2 , contributes to the supply of reactive oxygen, indicating the improved oxidation reaction …”
Section: Strategy To Improve Co Oxidation By Controlling the Interactmentioning
confidence: 99%
See 3 more Smart Citations
“…Unlike the inert supports, active supports have facile redox properties. Therefore, the high reducibility of the active supports, such as CeO 2 , Fe 2 O 3 , TiO 2 , contributes to the supply of reactive oxygen, indicating the improved oxidation reaction …”
Section: Strategy To Improve Co Oxidation By Controlling the Interactmentioning
confidence: 99%
“…It has been identified in the previous sections that the interfacial effect affects the activity through improving the reduction of CeO 2 support. Therefore, we know that improving the reducibility of support is important for the activity, and thus it should be a strategy to improve the activity in the loading system . In this sense, we would like to focus on the methods to basically tune the reducibility of the support, aside from the presence of metal particle on the surface.…”
Section: Strategy To Improve Co Oxidation By Controlling the Interactmentioning
confidence: 99%
See 2 more Smart Citations
“…The chocie of U value has a negligible influence on the thermodynamic or kinetic energy property of CeO 2 system . And U =4.5 eV is extnsively used in the simulation of CeO 2 system ,. For the calculations of Cu 1 /CeO 2 (111), we used a periodic slab with a (4×4) supercell in which one of the surface Ce atoms was substituted by one TM atom.…”
Section: Figurementioning
confidence: 99%