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