Enhanced fluoride uptake by layered double hydroxides under alkaline conditions: Solid-state NMR evidence of the role of surface> MgOH sites

C Ren, M Zhou, Z Liu, L Liang, X Li, X Lu… - Environmental …, 2021 - ACS Publications
Layered double hydroxides (LDHs) are potential low-cost filter materials for use in fluoride
removal from drinking water, but molecular-scale defluoridation mechanisms are lacking. In …

Insights into the Micro-Structure-Transport Relationships of the Fluoride-Ion Conductor t-BaSnF4 Synthesized by Spark Plasma Sintering

B Mercadier, C Legein, M Body, T Famprikis… - Chemistry of …, 2024 - ACS Publications
The tetragonal ordered form of BaSnF4 is of particular interest, as its ionic conductivity is
high enough to enable its uses as an electrolyte in all-solid-state fluoride-ion batteries …

Dramatic Enhancement of Rare-Earth Metal–Organic Framework Stability Via Metal Cluster Fluorination

MS Christian, KJ Fritzsching, JA Harvey… - JACS Au, 2022 - ACS Publications
Rare-earth polynuclear metal–organic frameworks (RE-MOFs) have demonstrated high
durability for caustic acid gas adsorption and separation based on gas adsorption to the …

Correlated Anion Disorder in Heteroanionic Cubic TiOF2

C Legein, BJ Morgan, AG Squires, M Body… - Journal of the …, 2024 - ACS Publications
Resolving anion configurations in heteroanionic materials is crucial for understanding and
controlling their properties. For anion-disordered oxyfluorides, conventional Bragg diffraction …

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 …

Structural Modeling of O/F Correlated Disorder in TaOF3 and NbOF3–x(OH)x by Coupling Solid-State NMR and DFT Calculations

O Zakary, M Body, T Charpentier… - Inorganic …, 2023 - ACS Publications
The structure of MOF3 (M= Nb, Ta) compounds was precisely modeled by combining
powder X-ray diffraction, solid-state NMR spectroscopy, and semiempirical dispersion …

Solid State Fluorination on the Minute Scale: Synthesis of WO3−xFx with Photocatalytic Activity

MA Lange, Y Krysiak, J Hartmann… - Advanced Functional …, 2020 - Wiley Online Library
Solid state reactions are notoriously slow, because the rate‐limiting step is diffusion of atoms
or ions through reactant, intermediate, and product crystalline phases. This requires days or …

NMR parameters in column 13 metal fluoride compounds (AlF3, GaF3, InF3 and TlF) from first principle calculations

A Sadoc, M Biswal, M Body, C Legein… - Solid State Nuclear …, 2014 - Elsevier
The relationship between the experimental 19 F isotropic chemical shift and the 19 F
isotropic shielding calculated using the gauge including projector augmented-wave …