Pd speciation on black phosphorene in a CO and C<sub>2</sub>H<sub>4</sub> atmosphere: a first-principles investigation-Reference-Cited by-同舟云学术

Pd speciation on black phosphorene in a CO and C₂H₄ atmosphere: a first-principles investigation

Published:2022 Issue:23 Volume:24 Page:14284-14293
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Liu Xin¹^ORCID,Chen Laike¹,Wu Yong¹,Zhang Xin¹,Chambaud Gilberte²^ORCID,Han Yu³^ORCID,Meng Changgong¹^ORCID

Affiliation:

1. State Key Laboratory of Fine Chemicals, Department of Chemistry, Dalian University of Technology, Dalian, 116024, P. R. China

2. Université Gustave Eiffel, COSYS/IMSE Laboratory, 5 bd Descartes, F-77454 Marne-la-Vallée, France

3. KAUST Catalysis Center, King Abdullah University of Science and Technology, Thuwal, 23955-6900, Saudi Arabia

Abstract

First-principles based thermodynamics calculations predict that atomic dispersion of Pd can be achieved on phosphorene, especially in a CO or C2H4 atmosphere.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D2CP01726A

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1. Restructuring effects of the chemical environment in metal nanocatalysis and single-atom catalysis

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