Deciphering fast ion transport in glasses: a case study of sodium and silver vitreous sulfides

M Kassem, T Bounazef, A Sokolov, M Bokova… - Inorganic …, 2022 - ACS Publications
High-capacity solid-state batteries are promising future products for large-scale energy
storage and conversion. Sodium fast ion conductors including glasses and glass ceramics …

Evidence for Complex Dynamics in Glassy Fast Ion Conductors: The Case of Sodium Thiosilicates

SS Sørensen, MM Smedskjaer… - The Journal of Physical …, 2023 - ACS Publications
Classical molecular dynamics is used to study the dynamics of alkali ions in a promising fast
ion conductor glass system, ie, Na2S–SiS2. Diffusion in such thiosilicates is found to display …

Quantitative assessment of network depolymerization in archetypal superionic glasses and its relationship with ion conduction: A case study on

M Micoulaut, A Piarristeguy, O Masson, LM Poitras… - Physical Review B, 2023 - APS
The properties of x Na 2 S-(100-x) GeS 2 glasses, which represent promising systems for all-
solid-state batteries, are thoroughly investigated from a variety of experimental and …

Bulk Glassy GeTe2: A Missing Member of the Tetrahedral GeX2 Family and a Precursor for the Next Generation of Phase-Change Materials

A Tverjanovich, M Khomenko, CJ Benmore… - Chemistry of …, 2021 - ACS Publications
Vitreous germanium disulfide GeS2 and diselenide GeSe2 belong to canonical
chalcogenide glasses extensively studied over the past half century. Their high-temperature …

Chemical and structural variety in sodium thioarsenate glasses studied by neutron diffraction and supported by first-principles simulations

M Kassem, T Bounazef, D Fontanari… - Inorganic …, 2020 - ACS Publications
Sodium-conducting sulfide glasses are promising materials for the next generation of solid-
state batteries. Deep insight into the glass structure is required to ensure a functional design …

Rigidity‐Driven Structural Isomers in the NaCl–Ga2S3 System: Implications for Energy Storage

M Bokova, M Kassem, T Usuki, A Tverjanovich… - Small …, 2024 - Wiley Online Library
Alternative energy sources require the search for innovative materials with promising
functionalities. Systems with unusual chemical properties represent an insufficiently …

Pockets, jumps and filaments: classifying ionic motion and determining the role of structure in electrochemical properties of 2Li2S-GeS2 superionic glasses

M Micoulaut - Journal of Physics: Condensed Matter, 2024 - iopscience.iop.org
The structural properties of a typical solid electrolyte system (2Li 2 S-GeS 2) is investigated
from First principles molecular dynamics simulations. Results reveal that depolymerization of …

Investigation of the substitution of mercury by silver in Ag2S-HgS-GeS2 glasses: Macroscopic, electrical and vibrational properties

M Mcheeck, K Shaheen, M Bokova, M Kassem… - Journal of Non …, 2024 - Elsevier
The evolution of structure and physical properties was investigated in the (Ag 2 S) x (HgS)
50-x (GeS 2) 50 system. It was found that the density increases with increasing silver sulfide …

Compressibility, diffusivity, and elasticity in relationship with ionic conduction: An atomic scale description of densified Li 2 S \rmLi_2\rmS–SiS 2 \rmSiS_2 glasses

M Micoulaut, LM Poitras, SS Sørensen… - Journal of the …, 2024 - Wiley Online Library
We examine the dynamic and ionic properties of a typical sulfide glass electrolyte 50 Li 2 S
\rmLi_2\rmS–50 SiS 2 \rmSiS_2 using molecular dynamics simulations and a previously …

Unexpected role of metal halides in a chalcogenide glass network

R Zaiter, M Kassem, D Fontanari, A Sokolov, T Usuki… - Materials & Design, 2022 - Elsevier
Chalcogenide glasses containing light alkali and Group 11 (Cu, Ag) halides MY (Y= Cl, Br, I)
exhibit high ionic conductivity while their heavy alkali counterparts show promising …