Structure and stability of neutral Al–Mg nanoclusters up to 55 atoms-Reference-Cited by-同舟云学术

Structure and stability of neutral Al–Mg nanoclusters up to 55 atoms

Published:2016 Issue:46 Volume:18 Page:31579-31585
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Paiva Mateus A. M.¹²³⁴⁵,Peluzo Bárbara M. T. C.¹²³⁴⁵,Belchior Jadson C.⁶⁷⁴⁵,Galvão Breno R. L.¹²³⁴⁵

Affiliation:

1. Departamento de Química

2. Centro Federal de Educação Tecnológica de Minas Gerais

3. CEFET-MG

4. Minas Gerais

5. Brazil

6. Departamento de Química-ICEx

7. Universidade Federal de Minas Gerais

Abstract

The geometries of aluminum–magnesium nanoalloys are explored using a genetic algorithm tuned to search for the 10 lowest energy minima for each cluster size and composition.

Funder

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Conselho Nacional de Desenvolvimento Científico e Tecnológico

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/C6CP05605A

Reference46 articles.

1. NinAlm alloy clusters: analysis of structural forms and their energy ordering

2. Diffusion and growth of aluminum adatoms on magnesium clusters with hexahedral structure

3. Theoretical design of stable small aluminium–magnesium binary clusters

4. A theoretical study of isomerism in doped aluminum MAl12 and MAl12X12 clusters with 40 and 50 valence electronsElectronic supplementary information (ESI) available: Selected geometric parameters of clusters. See http://www.rsc.org/suppdata/fd/b2/b211114d/

5. Theoretical study of hydrogenated Mg, Ca@Al12 clusters

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