Study of local structure and ion dynamics in GdCl3 - Gd2O3 and KCl - GdCl3 - Gd2O3 melts: In situ Raman spectroscopy and ab initio molecular dynamics › Research Explorer

Study of local structure and ion dynamics in GdCl₃ - Gd₂O₃ and KCl - GdCl₃ - Gd₂O₃ melts: In situ Raman spectroscopy and ab initio molecular dynamics

Research output: Contribution to journal › Article › peer-review

DOI

https://doi.org/10.1016/j.molliq.2019.112396
Final published version

Original language	English
Article number	112396
Number of pages	10
Journal	Journal of Molecular Liquids
Volume	301
DOIs	https://doi.org/10.1016/j.molliq.2019.112396
Publication status	Published - 1 Mar 2020

WoS ResearchAreas Categories

Chemistry, Physical
Physics, Atomic, Molecular & Chemical

Research areas

Gadolinium oxide, Molecular dynamics simulations, Oxide-chloride melts, Raman spectroscopy, Self-diffusion coefficients, Structure, OXIDE, MECHANISM, A=LI, HALIDE BINARY MELTS, VIBRATIONAL-SPECTRA, SOLUBILITY, MOLTEN, MODES, NA, DISSOLUTION

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics
Materials Chemistry
Atomic and Molecular Physics, and Optics
Spectroscopy
Physical and Theoretical Chemistry

ID: 11888384