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      The carrier transition from Li atoms to Li vacancies in solid-state lithium alloy anodes

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          Abstract

          Abstract

          The carrier alternation from Li atoms to Li vacancies leads to interface instability in solid-state lithium alloy anodes.

          Abstract

          The stable cycling of energy-dense solid-state batteries is highly relied on the kinetically stable solid-state Li alloying reactions. The Li metal precipitation at solid-solid interfaces is the primary cause of interface fluctuations and battery failures, whose formation requires a clear mechanism interpretation, especially on the key kinetic short board. Here, we introduce the lithium alloy anode as a model system to quantify the Li kinetic evolution and transition from the alloying reaction to the metal deposition in solid-state batteries, identifying that there is a carrier transition from Li atoms to Li vacancies during lithiation processes. The rate-determining step is charge transfer or Li atom diffusion at different lithiation stages.

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          Most cited references42

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          Generalized Gradient Approximation Made Simple

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            Projector augmented-wave method

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              Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

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                Author and article information

                Contributors
                Role: ConceptualizationRole: Data curationRole: Formal analysisRole: Funding acquisitionRole: InvestigationRole: MethodologyRole: Project administrationRole: ResourcesRole: SupervisionRole: ValidationRole: VisualizationRole: Writing - original draftRole: Writing - review & editing
                Role: ConceptualizationRole: Writing - original draftRole: Writing - review & editing
                Role: Formal analysisRole: MethodologyRole: Software
                Role: ConceptualizationRole: Project administrationRole: SupervisionRole: ValidationRole: Writing - review & editing
                Role: InvestigationRole: MethodologyRole: Validation
                Role: Data curationRole: Formal analysisRole: InvestigationRole: MethodologyRole: ResourcesRole: SoftwareRole: ValidationRole: VisualizationRole: Writing - review & editing
                Role: ConceptualizationRole: Formal analysis
                Role: VisualizationRole: Writing - review & editing
                Role: ConceptualizationRole: Funding acquisitionRole: InvestigationRole: MethodologyRole: Project administrationRole: SupervisionRole: ValidationRole: VisualizationRole: Writing - original draftRole: Writing - review & editing
                Journal
                Sci Adv
                sciadv
                advances
                Science Advances
                American Association for the Advancement of Science
                2375-2548
                September 2021
                15 September 2021
                : 7
                : 38
                Affiliations
                [1 ]Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology, Department of Chemical Engineering, Tsinghua University, Beijing 100084, China.
                [2 ]State Key Laboratory of Automotive Safety and Energy, School of Vehicle and Mobility, Tsinghua University, Beijing 100084, China.
                [3 ]Advanced Research Institute of Multidisciplinary Science, Beijing Institute of Technology, Beijing 100081, China.
                Author notes
                [* ]Corresponding author. Email: zhang-qiang@ 123456mails.tsinghua.edu.cn
                Article
                abi5520
                10.1126/sciadv.abi5520
                8443184
                34524850
                e9ba0bde-e134-45e9-8d2d-c40eefb3096c
                Copyright © 2021 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works. Distributed under a Creative Commons Attribution NonCommercial License 4.0 (CC BY-NC).

                This is an open-access article distributed under the terms of the Creative Commons Attribution-NonCommercial license, which permits use, distribution, and reproduction in any medium, so long as the resultant use is not for commercial advantage and provided the original work is properly cited.

                Product
                Funding
                Funded by: doi http://dx.doi.org/10.13039/501100001809, National Natural Science Foundation of China;
                Award ID: 21825501 and U1801257
                Funded by: doi http://dx.doi.org/10.13039/501100005089, Beijing Municipal Natural Science Foundation;
                Award ID: Z20J00043
                Funded by: doi http://dx.doi.org/10.13039/501100013290, National Key Research and Development Program of China Stem Cell and Translational Research;
                Award ID: 2016YFA0202500
                Categories
                Research Article
                Physical and Materials Sciences
                SciAdv r-articles
                Chemistry
                Materials Science
                Chemistry
                Custom metadata
                Mjoy Azul

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