Computational characterisation of structure and metallicity in small neutral and singly-charged cadmium clusters-Reference-Cited by-同舟云学术

Computational characterisation of structure and metallicity in small neutral and singly-charged cadmium clusters

Published:2019 Issue:23 Volume:21 Page:12321-12334
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Álvarez-Zapatero Pablo¹²³⁴⁵^ORCID,Aguado Andrés¹²³⁴⁵^ORCID

Affiliation:

1. Departamento de Física Teórica

2. Atómica y Óptica

3. University of Valladolid

4. Valladolid 47071

5. Spain

Abstract

Putative global minimum structures and an analysis of the electronic structure of neutral and charged cadmium clusters are reported to gain insight into the gradual insulator-to-metal transition in the small-size regime.

Funder

Consejería de Educación, Junta de Castilla y León

Ministry of Science, Innovation and Universities

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP01814J

Reference34 articles.

1. Y. Gao , Y.Liu , Y.Li , O.Zaluzhna and Y.Tong , Functional Nanometer-Sized Clusters of Transition Metals , 2014

2. METAL TO INSULATOR TRANSITIONS IN CLUSTERS

3. Size Dependence of the Ionization Potentials of Cd Clusters

4. Density-functional molecular dynamics study of Cd microclusters: stability and non-metal-metal transition

5. On the bonding of small group 12 clusters

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