Crystal chemistry and selected physical properties of inorganic fluorides and oxide-fluorides

M Leblanc, V Maisonneuve, A Tressaud - Chemical reviews, 2015 - ACS Publications
1.1. Interest of Inorganic Metal Fluorides Inorganic metal fluorides and oxide-fluorides have
significant importance in the development of many new technologies, and are impacting …

Recent advances in solid-state NMR spectroscopy of spin I= 1/2 nuclei

A Lesage - Physical Chemistry Chemical Physics, 2009 - pubs.rsc.org
This perspective contains a brief review of some of the most recent developments in solid-
state NMR spectroscopy of spin I= 1/2 nuclei. Over the last few years, methodological …

NMR parameters in alkali, alkaline earth and rare earth fluorides from first principle calculations

A Sadoc, M Body, C Legein, M Biswal… - Physical Chemistry …, 2011 - pubs.rsc.org
19F isotropic chemical shifts for alkali, alkaline earth and rare earth of column 3 basic
fluorides are measured and the corresponding isotropic chemical shieldings are calculated …

Assessment of DFT functionals with NMR chemical shifts

R Laskowski, P Blaha, F Tran - Physical Review B—Condensed Matter and …, 2013 - APS
Density-functional theory (DFT) calculations of the magnetic shielding for nuclear magnetic
resonance (NMR) in solids provide an important contribution for understanding the …

[HTML][HTML] Structure-property relationships in actinide containing molten salts–A review: Understanding and modelling the chemistry of nuclear fuel salts

AL Smith - Journal of Molecular Liquids, 2022 - Elsevier
Molten salts have recently received increased attention worldwide as key materials for
sustainable and low-carbon energy supply technologies (eg thermal energy storage …

Exploring the Sm1–xCaxF3–x Tysonite Solid Solution as a Solid-State Electrolyte: Relationships between Structural Features and F Ionic Conductivity

B Dieudonné, J Chable, F Mauvy… - The Journal of …, 2015 - ACS Publications
Pure tysonite Sm1–x Ca x F3–x solid solutions for 0.05≤ x≤ 0.17 have been prepared by
the solid-state route. For the first time, the partial Sm1–x Ca x F3–x solid solution is …

The key role of the composition and structural features in fluoride ion conductivity in tysonite Ce 1− x Sr x F 3− x solid solutions

B Dieudonné, J Chable, M Body, C Legein… - Dalton …, 2017 - pubs.rsc.org
Pure tysonite-type Ce1− xSrxF3− x solid solutions for 0≤ x< 0.15 were prepared by a solid-
state route at 900° C. The cell parameters follow Vegard's laws for 0≤ x≤ 0.10 and the …

Machine-learning-assisted synthesis of polar racemates

ML Nisbet, IM Pendleton, GM Nolis… - Journal of the …, 2020 - ACS Publications
Racemates have recently received attention as nonlinear optical and piezoelectric materials.
Here, a machine-learning-assisted composition space approach was applied to synthesize …

In Situ Experimental Evidence for a Nonmonotonous Structural Evolution with Composition in the Molten LiF−ZrF4 System

O Pauvert, D Zanghi, M Salanne, C Simon… - The Journal of …, 2010 - ACS Publications
We propose in this paper an original approach to study the structure of the molten LiF− ZrF4
system up to 50 mol% ZrF4, combining high-temperature nuclear magnetic resonance …

Chemical Storage of Elemental Fluorine in Nanostructured Cerium Fluorides

V Camus-Génot, E Boivin, C Legein… - ACS Applied Nano …, 2024 - ACS Publications
Fluorine possesses remarkable properties that ensure its enduring and indispensable role
in both academic and industrial development across diverse domains of our daily lives …