Eric B Lindgren
The significance of multipole interactions for the stability of regular structures composed from charged particles.
Lindgren, Eric B; Avis, Holly; Miller, Abigail; Stamm, Benjamin; Besley, Elena; Stace, Anthony J
Authors
Holly Avis
Abigail Miller
Benjamin Stamm
Professor ELENA BESLEY ELENA.BESLEY@NOTTINGHAM.AC.UK
PROFESSOR OF THEORETICAL COMPUTATIONAL CHEMISTRY
Anthony J Stace
Abstract
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, AB2, AB3, AB4, AB5 and AB6, 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 CFe4, a particle size ratio not previously observed is found to be particularly stable due to many-body effects.
Citation
Lindgren, E. B., Avis, H., Miller, A., Stamm, B., Besley, E., & Stace, A. J. (2024). The significance of multipole interactions for the stability of regular structures composed from charged particles. Journal of Colloid and Interface Science, 663, Article 458-466. https://doi.org/10.1016/j.jcis.2024.02.146
Journal Article Type | Article |
---|---|
Acceptance Date | Feb 19, 2024 |
Online Publication Date | Feb 22, 2024 |
Publication Date | 2024-06 |
Deposit Date | Mar 4, 2024 |
Publicly Available Date | Mar 6, 2024 |
Journal | Journal of Colloid and Interface Science |
Print ISSN | 0021-9797 |
Electronic ISSN | 1095-7103 |
Publisher | Elsevier |
Peer Reviewed | Peer Reviewed |
Volume | 663 |
Article Number | 458-466 |
DOI | https://doi.org/10.1016/j.jcis.2024.02.146 |
Keywords | Charged particles, Many-body effects, Dielectric constant, Binary particle lattices |
Public URL | https://nottingham-repository.worktribe.com/output/31617677 |
Additional Information | This article is maintained by: Elsevier; Article Title: The significance of multipole interactions for the stability of regular structures composed from charged particles; Journal Title: Journal of Colloid and Interface Science; CrossRef DOI link to publisher maintained version: https://doi.org/10.1016/j.jcis.2024.02.146; Content Type: article; Copyright: © 2024 The Authors. Published by Elsevier Inc. |
Files
1-s2.0-S0021979724003904-main
(5.6 Mb)
PDF
Publisher Licence URL
https://creativecommons.org/licenses/by/4.0/
You might also like
Nano Letters Seed Grants, Take Two
(2024)
Journal Article
Machine learning insights into predicting biogas separation in metal-organic frameworks
(2024)
Journal Article
Strain-modulated defect engineering of two-dimensional materials
(2024)
Journal Article
Downloadable Citations
About Repository@Nottingham
Administrator e-mail: discovery-access-systems@nottingham.ac.uk
This application uses the following open-source libraries:
SheetJS Community Edition
Apache License Version 2.0 (http://www.apache.org/licenses/)
PDF.js
Apache License Version 2.0 (http://www.apache.org/licenses/)
Font Awesome
SIL OFL 1.1 (http://scripts.sil.org/OFL)
MIT License (http://opensource.org/licenses/mit-license.html)
CC BY 3.0 ( http://creativecommons.org/licenses/by/3.0/)
Powered by Worktribe © 2024
Advanced Search