Theoretical study of the structures and chemical ordering of cobalt–palladium nanoclusters-Reference-Cited by-同舟云学术

Theoretical study of the structures and chemical ordering of cobalt–palladium nanoclusters

Published:2015 Issue:42 Volume:17 Page:28311-28321
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Arslan Haydar¹²³⁴,Garip Ali Kemal¹²³⁴,Johnston Roy L.⁵⁶⁷⁸

Affiliation:

1. Bülent Ecevit University

2. Department of Physics

3. 67100 Zonguldak

4. Turkey

5. School of Chemistry

6. University of Birmingham

7. Birmingham

8. UK

Abstract

Global optimization of 1 : 1 compositions of (Co–Pd)_N/2 up to N = 150 and all compositions of 34- and 38-atom binary clusters has been performed using a genetic algorithm, coupled with the Gupta empirical potential to model interatomic interactions.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP01029B

Reference63 articles.

1. Nanoalloys: From Theory to Applications of Alloy Clusters and Nanoparticles

2. Structural properties of nanoclusters: Energetic, thermodynamic, and kinetic effects

3. Searching for the optimum structures of alloy nanoclusters

4. Theoretical Studies of Palladium−Gold Nanoclusters: Pd−Au Clusters with up to 50 Atoms

5. Structural motifs, mixing, and segregation effects in 38-atom binary clusters

Cited by 36 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Understanding the shape effect on the structural, energetic, magnetic, and pressure properties of the 38 atom-Co-Fe-Pd nanoalloys using Gupta and DFT calculations;Physica Scripta;2024-05-28

2. Self‐Supported Catalytic Electrode of CoW/Co‐Foam Achieves Efficient Ammonia Synthesis at Ampere‐Level Current Density;Advanced Energy Materials;2023-12-22

3. Poly-icosahedral Co–Fe–Pd nanoalloy: Isomerism effect on the structural and magnetic properties from DFT;Physica B: Condensed Matter;2022-09

4. Concave Pd-M (M = Co, Ni, Cu, Rh, Ag, Ir, Pt, and Au) nanocubes explored by molecular dynamics simulations: A liquid-like expansion mechanism;Applied Surface Science;2022-08

5. Theoretical investigation on the stability, structural evolution, and low-energy isomer identification of polyicosahedral Cu-Ag-Au nanoalloys: A DFT study;Computational and Theoretical Chemistry;2022-02