Jump to ContentJump to Main Navigation
Show Summary Details
More options …

Zeitschrift für Physikalische Chemie

International journal of research in physical chemistry and chemical physics

Editor-in-Chief: Rademann, Klaus


IMPACT FACTOR 2017: 1.144
5-year IMPACT FACTOR: 1.144

CiteScore 2017: 1.08

SCImago Journal Rank (SJR) 2017: 0.495
Source Normalized Impact per Paper (SNIP) 2017: 0.495

Online
ISSN
2196-7156
See all formats and pricing
More options …
Volume 230, Issue 5-7

Issues

Diversity Characterization of Binary Clusters by Means of a Generalized Distance

Max Ramírez
  • Corresponding author
  • Departamento de Física, Facultad de Ciencias, Universidad de Chile, Santiago, Chile, and Centro para el Desarrollo de la Nanociencia y Nanotecnología, CEDENNA, Santiago, Chile
  • Email
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Jose Rogan
  • Departamento de Física, Facultad de Ciencias, Universidad de Chile, Santiago, Chile, and Centro para el Desarrollo de la Nanociencia y Nanotecnología, CEDENNA, Santiago, Chile
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Juan Alejandro Valdivia
  • Departamento de Física, Facultad de Ciencias, Universidad de Chile, Santiago, Chile, and Centro para el Desarrollo de la Nanociencia y Nanotecnología, CEDENNA, Santiago, Chile
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Alejandro Varas
  • Nano-Bio Spectroscopy group, Universidad del País Vasco UPV/EHU, CFM CSIC-UPV/EHU-MPC and DIPC, Avenida de Tolosa 72, E-20018 Donostia/San Sebastián, Spain
  • ETSF Scientific Development Centre, Avenida de Tolosa 72, E-20018 Donostia/San Sebastián, Spain
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Miguel Kiwi
  • Departamento de Física, Facultad de Ciencias, Universidad de Chile, Santiago, Chile, and Centro para el Desarrollo de la Nanociencia y Nanotecnología, CEDENNA, Santiago, Chile
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
Published Online: 2016-03-14 | DOI: https://doi.org/10.1515/zpch-2015-0716

Abstract

We characterize, by means of the definition of a generalized distance, the differences and similarities between binary nanoclusters. To define analytically, and to compute numerically this distance, we have generalized an original concept that was introduced for pure clusters. Since the diversity of cluster conformations grows exponentially with their size, and becomes even larger when the cluster atoms are of more than one species, we limit our attention to small ones. Thus, to illustrate and analyze our distance definition we characterize the Lennard-Jones (LJ) minimum energy conformations of two- and three-dimensional (2D and 3D) binary clusters, for 5 ≤ N ≤ 12, where N is the number of atoms of the cluster. In addition, when varying the LJ potential parameters, we find that the number of minima decreases as the range of the potential of one of the species is increased, and confirm that minimal energy conformations adopt a well defined core-shell configuration.

Keywords: Binary Nanocluster Structures; Nanocluster Diversity

PACS: 61.46.-w; 61.46.Bc

About the article

Accepted: 2016-01-25

Received: 2015-10-15

Published Online: 2016-03-14

Published in Print: 2016-05-28


Citation Information: Zeitschrift für Physikalische Chemie, Volume 230, Issue 5-7, Pages 977–989, ISSN (Online) 2196-7156, ISSN (Print) 0942-9352, DOI: https://doi.org/10.1515/zpch-2015-0716.

Export Citation

©2016 Walter de Gruyter Berlin/Boston.Get Permission

Citing Articles

Here you can find all Crossref-listed publications in which this article is cited. If you would like to receive automatic email messages as soon as this article is cited in other publications, simply activate the “Citation Alert” on the top of this page.

[2]
Matthew Griffiths, Samuel P. Niblett, and David J. Wales
Journal of Chemical Theory and Computation, 2017

Comments (0)

Please log in or register to comment.
Log in