Oxygen K-edge X-ray absorption spectra

F Frati, MOJY Hunault, FMF De Groot - Chemical reviews, 2020 - ACS Publications
We review oxygen K-edge X-ray absorption spectra of both molecules and solids. We start
with an overview of the main experimental aspects of oxygen K-edge X-ray absorption …

The short-range order (SRO) and structure

GS Henderson, JF Stebbins - Reviews in Mineralogy …, 2022 - pubs.geoscienceworld.org
Magmas are mixtures of melt, crystals and dissolved gasses with or without crystalline
material (Mysen and Richet 2019). They play an important role in igneous processes …

XPS, FTIR, DSC and optical absorption investigations on 55B2O3–20ZnO–(25-x) Li2O–xBi2O3 (0≤ x≤ 25 mol%) glass system

JH Madhuri, N Chanakya, D Satyavardhan… - Journal of Non …, 2023 - Elsevier
Melt quenching was employed to synthesize 55B 2 O 3–20ZnO–(25-x) Li 2 O–xBi 2 O 3 (0≤
x≤ 25 mol%) glass system. XRD, FTIR, DSC, EDX, XPS and optical absorption studies were …

Comprehensive analysis of boron-induced modification in LiNi0. 8Mn0. 1Co0. 1O2 positive electrode material for lithium-ion batteries

IA Skvortsova, ED Orlova, AO Boev, DA Aksyonov… - Journal of Power …, 2023 - Elsevier
Ni-rich layered oxides (Ni-rich NMCs) are attractive cathodes for LIBs demonstrating
remarkable specific capacity. Still, their commercial deployment is hindered by insufficient …

Modifying ring structures in lithium borate glasses under compression: MD simulations using a machine-learning potential

S Urata, AR Tan, R Gómez-Bombarelli - Physical Review Materials, 2024 - APS
Machine-learning potentials (MLPs) are advantageous in modeling boron coordination and
three-membered rings (3-rings) in borate glasses. In this study, the prominent ability of MLP …

Short-range structure, the role of bismuth and property–structure correlations in bismuth borate glasses

CPE Varsamis, N Makris, C Valvi… - Physical Chemistry …, 2021 - pubs.rsc.org
Bismuth-containing borate glasses, xBi2O3–(1− x) B2O3, were synthesized in the broad
composition range 0.20≤ x≤ 0.80 by melting in Pt crucibles and splat-quenching between …

Boron coordination and three‐membered ring formation in sodium borate glasses: a machine‐learning molecular dynamics study

T Kato, F Lodesani, S Urata - Journal of the American Ceramic …, 2024 - Wiley Online Library
Classical molecular dynamics (CMD) simulations that employ analytical force fields have
been commonly utilized to investigate mechanical, chemical, and thermal properties of oxide …

Statistical mechanical modeling of borate glass structure and topology: prediction of superstructural units and glass transition temperature

MS Bødker, JC Mauro, RE Youngman… - The Journal of …, 2019 - ACS Publications
Predicting the compositional evolution of the atomic-scale structure and properties of oxide
glasses is important for designing new materials for advanced applications. A statistical …

Nature of the amorphous–amorphous interfaces in solid-state batteries revealed using machine-learned interatomic potentials

C Wang, M Aykol, T Mueller - Chemistry of Materials, 2023 - ACS Publications
Non-crystalline solid materials have attracted growing attention in energy storage for their
desirable properties such as ionic conductivity, stability, and processability. However …

Ionic conductivity of lithium borate glasses and local structure probed by high resolution solid-sate NMR

V Montouillout, H Fan, L del Campo, S Ory… - Journal of Non …, 2018 - Elsevier
Structural properties and ionic conductivity have been correlated in the XLi 2 O-(100− X) B 2
O 3 vitreous system over a wide range of composition (X= 0–50 mol%). The structural …