Determining the equilibrium structures of nanoalloys by computational methods

Nanoalloys are bi- or multi-metallic nanoparticles with sizes in the range between 1 and 100 nm. They are the subject of intense research activity in the last decades, both in experiments and in theory/modelling. From a theoretical point of view, determining the equilibrium structure of nanoalloys a...

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Bibliographic Details
Published in:Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology Vol. 20; no. 7; pp. 1 - 13
Main Author: Ferrando, Riccardo
Format: Journal Article
Language:English
Published: Dordrecht Springer Netherlands 01.07.2018
Springer Nature B.V
Subjects:
20th Anniversary Issue: From the editors
Characterization and Evaluation of Materials
Chemistry and Materials Science
Computer applications
Equilibrium
Global optimization
Inorganic Chemistry
Lasers
Materials Science
Nanoalloys
Nanoparticles
Nanotechnology
Optical Devices
Optics
Photonics
Physical Chemistry
Review
Thermodynamics
Nanoalloys
Global optimization
ISSN:1388-0764, 1572-896X
Online Access:Get full text
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Summary:Nanoalloys are bi- or multi-metallic nanoparticles with sizes in the range between 1 and 100 nm. They are the subject of intense research activity in the last decades, both in experiments and in theory/modelling. From a theoretical point of view, determining the equilibrium structure of nanoalloys at different temperatures is a quite complex task, which has stimulated the developments of specifically tailored methods and algorithms. Here, we review some recent developments in this field, considering first methods for the global optimization of nanoalloys, and then methods for studying their finite-temperature equilibrium properties.
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ISSN:1388-0764
1572-896X
DOI:10.1007/s11051-018-4267-6