Interfaces and interphases in all-solid-state batteries with inorganic solid electrolytes

A Banerjee, X Wang, C Fang, EA Wu… - Chemical reviews, 2020 - ACS Publications
All-solid-state batteries (ASSBs) have attracted enormous attention as one of the critical
future technologies for safe and high energy batteries. With the emergence of several highly …

Atomic‐scale design of anode materials for alkali metal (Li/Na/K)‐ion batteries: Progress and perspectives

E Olsson, J Yu, H Zhang, HM Cheng… - Advanced energy …, 2022 - Wiley Online Library
The development and optimization of high‐performance anode materials for alkali metal ion
batteries is crucial for the green energy evolution. Atomic scale computational modeling …

Computational screening of cathode coatings for solid-state batteries

Y Xiao, LJ Miara, Y Wang, G Ceder - Joule, 2019 - cell.com
Solid-state batteries are on the roadmap for commercialization as the next generation of
batteries because of their potential for improved safety, power density, and energy density …

Bond valence pathway analyzer—an automatic rapid screening tool for fast ion conductors within softBV

LL Wong, KC Phuah, R Dai, H Chen… - Chemistry of …, 2021 - ACS Publications
Solid-state fast ionic conductors are of great interest due to their application potential
enabling the development of safer high-performance energy and conversion systems …

High-throughput screening platform for solid electrolytes combining hierarchical ion-transport prediction algorithms

B He, S Chi, A Ye, P Mi, L Zhang, B Pu, Z Zou, Y Ran… - Scientific Data, 2020 - nature.com
The combination of a materials database with high-throughput ion-transport calculations is
an effective approach to screen for promising solid electrolytes. However, automating the …

Modeling the solid electrolyte interphase: Machine learning as a game changer?

D Diddens, WA Appiah, Y Mabrouk… - Advanced Materials …, 2022 - Wiley Online Library
The solid electrolyte interphase (SEI) is a complex passivation layer that forms in situ on
many battery electrodes such as lithium‐intercalated graphite or lithium metal anodes. Its …

Lithium ion conduction in cathode coating materials from on-the-fly machine learning

C Wang, K Aoyagi, P Wisesa, T Mueller - Chemistry of Materials, 2020 - ACS Publications
The performance of solid-state lithium ion batteries can be improved through the use of
interfacial coating materials, but computationally identifying materials with sufficiently high …

Evidence for a Solid-Electrolyte Inductive Effect in the Superionic Conductor Li10Ge1–xSnxP2S12

SP Culver, AG Squires, N Minafra… - Journal of the …, 2020 - ACS Publications
Strategies to enhance ionic conductivities in solid electrolytes typically focus on the effects of
modifying their crystal structures or of tuning mobile-ion stoichiometries. A less-explored …

A database of ionic transport characteristics for over 29 000 inorganic compounds

L Zhang, B He, Q Zhao, Z Zou, S Chi… - Advanced Functional …, 2020 - Wiley Online Library
Transport characteristics of ionic conductors play a key role in the performance of
electrochemical devices such as solid‐state batteries, solid‐oxide fuel cells, and sensors …

Towards autonomous high-throughput multiscale modelling of battery interfaces

Z Deng, V Kumar, FT Bölle, F Caro… - Energy & …, 2022 - pubs.rsc.org
To date, battery research largely follows an “Edisonian” approach based on experimental
trial-and-error in contrast to a systematic strategy of design-of-experiments. Battery …