Theory-guided experimental design in battery materials research.


Journal

Science advances
ISSN: 2375-2548
Titre abrégé: Sci Adv
Pays: United States
ID NLM: 101653440

Informations de publication

Date de publication:
13 May 2022
Historique:
entrez: 11 5 2022
pubmed: 12 5 2022
medline: 12 5 2022
Statut: ppublish

Résumé

A reliable energy storage ecosystem is imperative for a renewable energy future, and continued research is needed to develop promising rechargeable battery chemistries. To this end, better theoretical and experimental understanding of electrochemical mechanisms and structure-property relationships will allow us to accelerate the development of safer batteries with higher energy densities and longer lifetimes. This Review discusses the interplay between theory and experiment in battery materials research, enabling us to not only uncover hitherto unknown mechanisms but also rationally design more promising electrode and electrolyte materials. We examine specific case studies of theory-guided experimental design in lithium-ion, lithium-metal, sodium-metal, and all-solid-state batteries. We also offer insights into how this framework can be extended to multivalent batteries. To close the loop, we outline recent efforts in coupling machine learning with high-throughput computations and experiments. Last, recommendations for effective collaboration between theorists and experimentalists are provided.

Identifiants

pubmed: 35544561
doi: 10.1126/sciadv.abm2422
pmc: PMC9094674
doi:

Types de publication

Journal Article Review

Langues

eng

Sous-ensembles de citation

IM

Pagination

eabm2422

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Auteurs

Alex Yong Sheng Eng (AYS)

Institute of Materials Research and Engineering, Agency for Science, Technology and Research (A*STAR), 2 Fusionopolis Way, Innovis, Singapore 138634, Singapore.

Chhail Bihari Soni (CB)

Department of Energy Science and Engineering, Indian Institute of Technology Delhi, Hauz Khas, New Delhi 110 016, India.

Yanwei Lum (Y)

Institute of Materials Research and Engineering, Agency for Science, Technology and Research (A*STAR), 2 Fusionopolis Way, Innovis, Singapore 138634, Singapore.

Edwin Khoo (E)

Institute for Infocomm Research, Agency for Science, Technology and Research (A*STAR), 1 Fusionopolis Way, Connexis, Singapore 138632, Singapore.

Zhenpeng Yao (Z)

The State Key Laboratory of Metal Matrix Composites, School of Materials Science and Engineering, and Center of Hydrogen Science, Shanghai Jiao Tong University, Shanghai 200240, P. R. China.

S K Vineeth (SK)

Department of Energy Science and Engineering, Indian Institute of Technology Delhi, Hauz Khas, New Delhi 110 016, India.

Vipin Kumar (V)

Department of Energy Science and Engineering, Indian Institute of Technology Delhi, Hauz Khas, New Delhi 110 016, India.

Jun Lu (J)

Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, IL 60439, USA.

Christopher S Johnson (CS)

Chemical Sciences and Engineering Division, Argonne National Laboratory, Lemont, IL 60439, USA.

Christopher Wolverton (C)

Department of Materials Science and Engineering, Northwestern University, Evanston, IL 60208, USA.

Zhi Wei Seh (ZW)

Institute of Materials Research and Engineering, Agency for Science, Technology and Research (A*STAR), 2 Fusionopolis Way, Innovis, Singapore 138634, Singapore.

Classifications MeSH