Designing all-solid-state batteries by theoretical computation: a review

S Zhang, J Ma, S Dong, G Cui - Electrochemical Energy Reviews, 2023 - Springer
All-solid-state batteries (ASSBs) with solid-state electrolytes and lithium-metal anodes have
been regarded as a promising battery technology to alleviate range anxiety and address …

Phonon–ion interactions: designing ion mobility based on lattice dynamics

S Muy, R Schlem, Y Shao‐Horn… - Advanced Energy …, 2021 - Wiley Online Library
This review is focused on the influence of lattice dynamics on the ionic mobility in superionic
conductors in particular solid‐state Li‐ion conductors. After a succinct review of the static …

Oxide‐based solid‐state batteries: a perspective on composite cathode architecture

Y Ren, T Danner, A Moy, M Finsterbusch… - Advanced Energy …, 2023 - Wiley Online Library
The garnet‐type phase Li7La3Zr2O12 (LLZO) attracts significant attention as an oxide solid
electrolyte to enable safe and robust solid‐state batteries (SSBs) with potentially high …

Ultrahigh power and energy density in partially ordered lithium-ion cathode materials

H Ji, J Wu, Z Cai, J Liu, DH Kwon, H Kim, A Urban… - Nature Energy, 2020 - nature.com
The rapid market growth of rechargeable batteries requires electrode materials that combine
high power and energy and are made from earth-abundant elements. Here we show that …

Frustration in Super‐Ionic Conductors Unraveled by the Density of Atomistic States

S Wang, Y Liu, Y Mo - Angewandte Chemie International …, 2023 - Wiley Online Library
The frustration in super‐ionic conductors enables their exceptionally high ionic
conductivities, which are desired for many technological applications including batteries and …

Crystal structural framework of lithium super‐ionic conductors

X He, Q Bai, Y Liu, AM Nolan, C Ling… - Advanced Energy …, 2019 - Wiley Online Library
As technologically important materials for solid‐state batteries, Li super‐ionic conductors are
a class of materials exhibiting exceptionally high ionic conductivity at room temperature …

Space-charge layers in all-solid-state batteries; important or negligible?

NJJ de Klerk, M Wagemaker - ACS applied energy materials, 2018 - ACS Publications
All-solid state batteries have the promise to increase the safety of Li-ion batteries. A
prerequisite for high-performance all-solid-state batteries is a high Li-ion conductivity …

Substitutional disorder: structure and ion dynamics of the argyrodites Li 6 PS 5 Cl, Li 6 PS 5 Br and Li 6 PS 5 I

I Hanghofer, M Brinek, SL Eisbacher… - Physical Chemistry …, 2019 - pubs.rsc.org
For the development of safe and long-lasting lithium-ion batteries we need electrolytes with
excellent ionic transport properties. Argyrodite-type Li6PS5X (X: Cl, Br, I) belongs to a family …

Unsupervised discovery of solid-state lithium ion conductors

Y Zhang, X He, Z Chen, Q Bai, AM Nolan… - Nature …, 2019 - nature.com
Although machine learning has gained great interest in the discovery of functional materials,
the advancement of reliable models is impeded by the scarcity of available materials …

Insights into the Lithium Sub-structure of Superionic Conductors Li3YCl6 and Li3YBr6

R Schlem, A Banik, S Ohno, E Suard… - Chemistry of …, 2021 - ACS Publications
The recent interest in halide-based solid electrolytes Li3MX6 (M= Y, Er, and In; X= Cl, Br,
and I) shows these materials to be promising candidates for solid-state battery application …