Neutron diffraction for revealing the structures and ionic transport mechanisms of antiperovskite solid electrolytes

L Gao, J Pan, L Di, J Zhu, L Wang, S Gao, R Zou… - Chinese Journal of …, 2023 - Elsevier
Solid-state electrolytes (SSEs) play the most important role in the development of cutting-
edge all-solid-state batteries (ASSBs). The lithium (sodium)-rich antiperovskite solid …

Multiobjective Solid Electrolyte Design of Tetragonal and Cubic Inverse-Perovskites for All-Solid-State Lithium-Ion Batteries by High-Throughput Density Functional …

R Jalem, Y Tateyama, K Takada… - The Journal of Physical …, 2023 - ACS Publications
Solid electrolytes (SEs) are crucial materials to realize highly safe and practical all-solid-
state Li+-ion batteries. Here, we performed a large-scale computational SE screening on a …

Defect chemistry and ion transport in low-dimensional-networked Li-rich anti-perovskites as solid electrolytes for solid-state batteries

ACC Dutra, GE Rudman, KE Johnston, JA Dawson - Energy Advances, 2023 - pubs.rsc.org
Solid-state batteries are attracting significant attention due to their plethora of potential
advantages, including energy density gains and safety enhancements. The heart of this …

Exploring the effects of defect concentrations and distribution on Li diffusion in Li 3 OBr solid-state electrolyte using a deep potential model

L **a, J Tang, Y Chen, X Zhou, Z Ma… - Journal of Materials …, 2024 - pubs.rsc.org
Anti-perovskite solid-state electrolytes with high ionic conductivity have been reported to
have the potential to replace conventional liquid electrolytes. However, the ionic conductivity …

Lithium-site substituted argyrodite-type Li6PS5I solid electrolytes with enhanced ionic conduction for all-solid-state batteries

L Gao, YL **e, Y Tong, M Xu, JL You, HP Wei… - Science China …, 2023 - Springer
Abstract Argyrodites, Li6PS5 X (X= Cl, Br, I), have piqued the interest of researchers by
offering promising lithium ionic conductivity for their application in all-solid-state batteries …

First-Principles Study on a Layered Antiperovskite Li7O2Br3 Solid Electrolyte

D Ni, J Qi, Z Deng, R **ao, Y Sun, S Li… - The Journal of Physical …, 2024 - ACS Publications
Lithium-rich antiperovskites (LiRAPs) have garnered recent attention as solid electrolytes for
solid-state lithium-ion batteries (SSLIBs) with high safety and high energy density. Among …

High Formability Bromide Solid Electrolyte with Improved Ionic Conductivity for Bulk-Type All-Solid-State Lithium–Metal Batteries

L Gao, F Zhong, Y Tong, S Zhang, J You… - ACS Applied Energy …, 2022 - ACS Publications
Solid electrolytes with excellent formability and high room-temperature Li-ion conductivities
used in bulk-type all-solid-state lithium-metal batteries (ASSLBs) are expected to suppress …

[HTML][HTML] Pressure induced impact on mechanical, electrical, optical, and thermal properties of Li4OX2 (X= Cl, Br and I): DFT study

MS Ali, R Parvin, MAH Chowdhury, M Sabah, MS Islam… - Physics Open, 2024 - Elsevier
We investigate the pressure effect on Li 4 OX 2 (X= Cl, Br, and I) for the first time using DFT
simulation. Li 4 OCl 2 shows mechanical stability up to 8 GPa, whereas Li 4 OBr 2 has …

[PDF][PDF] Physics Open

MS Ali, R Parvin, MAH Chowdhury, M Sabah, MS Islam… - researchgate.net
We investigate the pressure effect on Li4OX2 (X= Cl, Br, and I) for the first time using DFT
simulation. Li4OCl2 shows mechanical stability up to 8 GPa, whereas Li4OBr2 has stability …

3. 第一原理計算を基軸とした高イオン伝導度固体電解質のハイスループット探索と記述子抽出

館山佳尚, 張成燻 - 電気化学, 2023 - jstage.jst.go.jp
従来のリチウムイオン電池の課題を解決しうる次世代蓄電池の研究開発が現在精力的に進められ
ている. その中で, 可燃性の電解液を無機系の固体電解質に置き換えた全固体電池は …