Machine-learning and high-throughput studies for high-entropy materials

EW Huang, WJ Lee, SS Singh, P Kumar, CY Lee… - Materials Science and …, 2022 - Elsevier
The combination of multiple-principal element materials, known as high-entropy materials
(HEMs), expands the multi-dimensional compositional space to gigantic stoichiometry. It is …

Neutron scattering studies of heterogeneous catalysis

X Yu, Y Cheng, Y Li, F Polo-Garzon, J Liu… - Chemical …, 2023 - ACS Publications
Understanding the structural dynamics/evolution of catalysts and the related surface
chemistry is essential for establishing structure–catalysis relationships, where spectroscopic …

Pressure-Induced Superconductivity In Polycrystalline

G Wang, NN Wang, XL Shen, J Hou, L Ma, LF Shi… - Physical Review X, 2024 - APS
We synthesized polycrystalline La 3 Ni 2 O 7− δ (δ≈ 0.0 7) samples by using the sol-gel
method without postannealing under high oxygen pressure, and then measured …

Long-range antiferromagnetic order in a rocksalt high entropy oxide

J Zhang, J Yan, S Calder, Q Zheng… - Chemistry of …, 2019 - ACS Publications
We report for the first time the magnetic structure of the high entropy oxide (Mg0. 2Co0. 2Ni0.
2Cu0. 2Zn0. 2) O using neutron powder diffraction. This material exhibits a sluggish …

The effect of oxygen vacancy and spinel phase integration on both anionic and cationic redox in Li-rich cathode materials

Q Li, D Ning, D Zhou, K An, D Wong, L Zhang… - Journal of materials …, 2020 - pubs.rsc.org
Tuning the anionic redox chemistry (O2−→ O2n−) activity and reversibility by crystal and/or
electronic modulation is essential for Li-rich oxide cathode materials. Herein, we report a …

Modeling short-range order in disordered rocksalt cathodes by pair distribution function analysis

NJ Szymanski, Z Lun, J Liu, EC Self… - Chemistry of …, 2023 - ACS Publications
Pair distribution function (PDF) analysis is a powerful technique for the characterization of
short-range order (SRO) in disordered materials. Accurate interpretation of experimental …

Anionic redox induced anomalous structural transition in Ni-rich cathodes

J Liu, Z Du, X Wang, S Tan, X Wu, L Geng… - Energy & …, 2021 - pubs.rsc.org
Ni-rich cathodes have emerged as one of the most promising candidates for power next
generation electric vehicles. However, they often suffer from poor capacity retention when …

Local Charge Inhomogeneity and Lithium Distribution in the Superionic Argyrodites Li6PS5X (X = Cl, Br, I)

N Minafra, MA Kraft, T Bernges, C Li, R Schlem… - Inorganic …, 2020 - ACS Publications
The lithium argyrodites Li6PS5X (X= Cl, Br, I) exhibit high lithium-ion conductivities, making
them promising candidates for use in solid-state batteries. These solid electrolytes can show …

[PDF][PDF] Cation configuration in transition-metal layered oxides

Y Yang, Z Zhang, S Liu, B Wang, J Liu, Y Ren, X Zhang… - Matter, 2022 - cell.com
The cation configuration of transition-metal (TM) layered oxides used as cathode materials
for batteries, which significantly affects their intrinsic performance, is extremely important for …

[HTML][HTML] POWGEN: rebuild of a third-generation powder diffractometer at the Spallation Neutron Source

A Huq, M Kirkham, PF Peterson, JP Hodges… - Journal of Applied …, 2019 - scripts.iucr.org
The neutron powder diffractometer POWGEN at the Spallation Neutron Source has recently
(2017–2018) undergone an upgrade which resulted in an increased detector complement …