Global optimization of small bimetallic Pd–Co binary nanoalloy clusters: a genetic algorithm approach at the DFT level-Reference-Cited by-同舟云学术

Global optimization of small bimetallic Pd–Co binary nanoalloy clusters: a genetic algorithm approach at the DFT level

Published:2016 Issue:9 Volume:18 Page:6676-6682
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Aslan Mikail¹²³⁴,Davis Jack B. A.⁵⁶⁷⁸,Johnston Roy L.⁵⁶⁷⁸

Affiliation:

1. Department of Metallurgical and Materials Engineering

2. Gaziantep University

3. Gaziantep

4. Turkey

5. School of Chemistry

6. University of Birmingham

7. Birmingham

8. UK

Abstract

The global optimisation of small bimetallic PdCo binary nanoalloys are systematically investigated using the Birmingham Cluster Genetic Algorithm (BCGA).

Funder

Engineering and Physical Sciences Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP00342G

Reference81 articles.

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2. Geometry, electronic structure and magnetism of small Con (n = 2−8) clusters

3. Dopant-induced 2D–3D transition in small Au-containing clusters: DFT-global optimisation of 8-atom Au–Ag nanoalloys

4. Density functional study of structural and electronic properties of bimetallic silver–gold clusters: Comparison with pure gold and silver clusters

5. Geometrical and Electronic Structures of Gold, Silver, and Gold−Silver Binary Clusters: Origins of Ductility of Gold and Gold−Silver Alloy Formation

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