A casting combined quenching strategy to prepare PdAg single atom alloys designed using the cluster expansion combined Monte Carlo method-Reference-Cited by-同舟云学术

A casting combined quenching strategy to prepare PdAg single atom alloys designed using the cluster expansion combined Monte Carlo method

Published:2022 Issue:4 Volume:24 Page:2251-2264
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Hua Minghao¹,Tian Xuelei¹,Li Shuo¹^ORCID,Zhang Xiaofu¹²,Shao Anchen¹,Song Lin¹³,Lin Xiaohang¹^ORCID

Affiliation:

1. Key Laboratory for Liquid–Solid Structural Evolution and Processing of Materials, Ministry of Education, School of Materials Science and Engineering, Shandong University, 250061, Jinan, China

2. School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001, China

3. Shandong Laboratory of Yantai Advanced Materials and Green Manufacture, Yantai, Shandong Province, 2640000, China

Abstract

Both cluster expansion based Monte Carlo simulations and experiments show the presence of Ag on the surfaces of PdAg alloys prepared using casting combined quenching processes; Pd atoms are uniformly dispersed to form single atom alloys.

Funder

China Postdoctoral Science Foundation

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/D1CP05046J

Reference73 articles.

1. Single-Atom Alloy Catalysis

2. Engineering the Surface Architecture of Highly Dilute Alloys: An ab Initio Monte Carlo Approach

3. Pt/Cu single-atom alloys as coke-resistant catalysts for efficient C–H activation

4. Reactivity of Bimetallic Systems Studied from First Principles

5. Formation, atomic distribution and mixing energy in two-dimensional PdxAg1−x surface alloys on Pd(111)

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