Open AccessStructural, Dynamic, and Thermodynamic Study of KF–AlF3 Melts by Combining High-Temperature NMR and Molecular Dynamics Simulations
Author(s) -
Kelly Machado,
Didier Zanghi,
Mathieu Salanne,
Catherine Bessada
Publication year - 2019
Publication title -
the journal of physical chemistry c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.401
H-Index - 289
eISSN - 1932-7455
pISSN - 1932-7447
DOI - 10.1021/acs.jpcc.8b11907
Subject(s) - cryolite , molecular dynamics , aluminium , chemistry , density functional theory , work (physics) , fluoride , electrochemistry , solvent , nuclear magnetic resonance spectroscopy , thermodynamics , materials science , inorganic chemistry , computational chemistry , organic chemistry , electrode , physics
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