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Cited by 398

The DOI matches its Crossref record; 131 of the 131 references it cites were found in a registry or an index.

Computation-Accelerated Design of Materials and Interfaces for All-Solid-State Lithium-Ion Batteries

Open access
Nolan, Adelaide M., Zhu, Yizhou, He, Xingfeng, Bai, Qiang, Mo, Yifei·2018·Joule

Abstract

Summary The all-solid-state lithium-ion battery is a promising next-generation battery technology. However, the realization of all-solid-state batteries is impeded by limited understanding of solid electrolyte materials and solid electrolyte-electrode interfaces. In this review, we present an overview of recently developed computation techniques and their applications in understanding and advancing materials and interfaces in all-solid-state batteries. We review the role of ab initio molecular dynamics simulations in studying fast ion conductors and discuss the capabilities of thermodynamic calculations powered by materials databases for identifying the chemical and electrochemical stability of solid electrolyte materials and solid electrolyte-electrode interfaces. We highlight the computational studies in the design and discovery of new solid electrolyte materials and outline design guidelines for solid electrolytes and their interfaces. We conclude with discussion of future directions in computation techniques, materials development, and interface engineering for all-solid-state lithium-ion batteries.

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Crossref · 10.1016/j.joule.2018.08.017

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Metadata

Authors
Nolan, A. M., Zhu, Y., He, X., Bai, Q., & Mo, Y.
Venue
Joule
Publisher
Elsevier BV
Published
2018-10
Volume
2
Issue
10
Pages
2016-2046
ISSN
2542-4351 (ISSN-L)
OpenAlex
W2891639453
Cited by
398
References
131
FWCI
13.45
Type
journal article
Language
en
Open access
bronze

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CoChat. (2026). Citation check: Computation-Accelerated Design of Materials and Interfaces for All-Solid-State Lithium-Ion Batteries. https://app.cochat.ai/papers/10.1016/j.joule.2018.08.017
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Nolan, A. M., Zhu, Y., He, X., Bai, Q., & Mo, Y. (2018). Computation-Accelerated Design of Materials and Interfaces for All-Solid-State Lithium-Ion Batteries. Joule. https://doi.org/10.1016/j.joule.2018.08.017

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