Solid–liquid interfacial free energy from computer simulations: challenges and recent advances

Di Pasquale, N. orcid.org/0000-0001-5676-8527, Algaba, J. orcid.org/0000-0001-8371-5287, Montero de Hijes, P. orcid.org/0000-0001-8873-8445 et al. (12 more authors) (2025) Solid–liquid interfacial free energy from computer simulations: challenges and recent advances. Chemical Reviews, 125 (10). ISSN 0009-2665

Abstract

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Item Type: Article
Authors/Creators:
Copyright, Publisher and Additional Information:

© 2025 The Authors. This publication is licensed under CC-BY 4.0 - https://creativecommons.org/licenses/by/4.0/

Keywords: Chemical calculations; Free energy; Interfaces; Liquids; Thermodynamics
Dates:
  • Submitted: 28 October 2024
  • Accepted: 28 March 2025
  • Published (online): 11 May 2025
  • Published: 28 May 2025
Institution: The University of Sheffield
Academic Units: The University of Sheffield > Faculty of Engineering (Sheffield) > School of Chemical, Materials and Biological Engineering
Funding Information:
Funder
Grant number
ENGINEERING AND PHYSICAL SCIENCE RESEARCH COUNCIL
EP/R018820/1
Depositing User: Symplectic Sheffield
Date Deposited: 29 May 2025 08:14
Last Modified: 29 May 2025 08:14
Status: Published
Publisher: American Chemical Society (ACS)
Refereed: Yes
Identification Number: 10.1021/acs.chemrev.4c00833
Sustainable Development Goals:
  • Sustainable Development Goals: Goal 7: Affordable and Clean Energy
Open Archives Initiative ID (OAI ID):

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