The significance of multipole interactions for the stability of regular structures composed from charged particles.

Autor: Lindgren EB; Institute of Applied Analysis and Numerical Simulation, University of Stuttgart, Pfaffenwaldring 57, 70569 Stuttgart, Germany., Avis H; School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, United Kingdom., Miller A; School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, United Kingdom., Stamm B; Institute of Applied Analysis and Numerical Simulation, University of Stuttgart, Pfaffenwaldring 57, 70569 Stuttgart, Germany., Besley E; School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, United Kingdom., Stace AJ; School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, United Kingdom. Electronic address: Anthony.stace@nottingham.ac.uk.
Jazyk: angličtina
Zdroj: Journal of colloid and interface science [J Colloid Interface Sci] 2024 Jun; Vol. 663, pp. 458-466. Date of Electronic Publication: 2024 Feb 22.
DOI: 10.1016/j.jcis.2024.02.146
Abstrakt: Identifying the forces responsible for stabilising binary particle lattices is key to the controlled fabrication of many new materials. Experiments have shown that the presence of charge can be integral to the formation of ordered arrays; however, a complete analysis of the forces responsible has not included many of the significant lattice types that may form during fabrication. A theory of many-body electrostatic interactions has been applied to six lattice stoichiometries, AB, AB 2 , AB 3 , AB 4 , AB 5 and AB 6 , to show that induced multipole interactions can make a very significant (>80 %) contribution to the total lattice energy of arrays of charged particles. Particle radii ratios which favour global minima in electrostatic energy are found to be the same or a close match to those observed by experiment. Although certain lattice types exhibit local energy minima, the calculations show that many-body rather than two-body interactions are ultimately responsible for the structures observed by experiment. For a lattice isostructural with CFe 4 , a particle size ratio not previously observed is found to be particularly stable due to many-body effects.
Competing Interests: Declaration of competing interest The authors declare the following financial interests/personal relationships which may be considered as potential competing interests: Anthony Stace reports financial support was provided by Leverhulme Trust. Elena Besley reports financial support was provided by The Royal Society. Abigail Miller reports financial support was provided by Engineering and Physical Sciences Research Council. If there are other authors, they declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.
(Copyright © 2024 The Authors. Published by Elsevier Inc. All rights reserved.)
Databáze: MEDLINE
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