Propene oxidation catalysis and electronic structure of M55 particles (M = Pd or Rh): differences and similarities between Pd55 and Rh55-Reference-Cited by-同舟云学术

Propene oxidation catalysis and electronic structure of M55 particles (M = Pd or Rh): differences and similarities between Pd55 and Rh55

Published:2020 Issue:21 Volume:22 Page:11783-11796
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Zhu Bo¹²³⁴^ORCID,Ehara Masahiro¹²³⁴⁵^ORCID,Sakaki Shigeyoshi¹²³⁴⁶^ORCID

Affiliation:

1. Elements Strategy Initiative for Catalysts and Batteries (ESICB)

2. Kyoto University

3. Kyoto 615-8245

4. Japan

5. Institute for Molecular Science (IMS)

6. Fukui Institute for Fundamental Chemistry (FIFC)

Abstract

This theoretical study elucidated the reaction mechanism of propene oxidation on Pd₅₅ and Rh₅₅ particles and disclosed that d valence band-top energy is a key factor in determining the catalytic activity.

Funder

Ministry of Economy, Trade and Industry

Ministry of Education, Culture, Sports, Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP00169D

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