Concepedia

Influence of the Pt size and CeO<sub>2</sub> morphology at the Pt–CeO<sub>2</sub> interface in CO oxidation

Sinmyung Yoon, Hyunwoo Ha, Jihun Kim, Eonu Nam, M.H. Yoo, Beomgyun Jeong, Hyun You Kim, Kwangjin An

Journal of Materials Chemistry A · 2021 · 60 citations · 67 references

DOI

Concepts

Abstract

The catalytic activity derived from the metal–support interaction at the Pt–CeO 2 interface can be demonstrated by the two descriptors of Pt particle size and CeO 2 morphology.

References

67

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

, , +17

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

, , +14

Accurate and simple analytic representation of the electron-gas correlation energy

John P. Perdew, Yue Wang · Physical review. B, Condensed matter · 1992 · 24.9K citations

, , +14

A climbing image nudged elastic band method for finding saddle points and minimum energy paths

Graeme Henkelman, Blas P. Uberuaga, Hannes Jónsson · The Journal of Chemical Physics · 2000 · 21.2K citations

, , +17

Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points

Graeme Henkelman, Hannes Jónsson · The Journal of Chemical Physics · 2000 · 9.4K citations

, , +17