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      Boosting Rechargeable Batteries R&D by Multiscale Modeling: Myth or Reality?

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          Abstract

          This review addresses concepts, approaches, tools, and outcomes of multiscale modeling used to design and optimize the current and next generation rechargeable battery cells. Different kinds of multiscale models are discussed and demystified with a particular emphasis on methodological aspects. The outcome is compared both to results of other modeling strategies as well as to the vast pool of experimental data available. Finally, the main challenges remaining and future developments are discussed.

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          Generalized Gradient Approximation Made Simple

          John P Perdew, Kieron Burke, Matthias Ernzerhof (1997)
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            Highly reversible zinc metal anode for aqueous batteries

            Chunsheng Wang, Wei Sun, Fudong Han … (2018)
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              A simple measure of electron localization in atomic and molecular systems

              A. Becke, K. Edgecombe (1990)
              Article 0 comments Cited 818 times – based on 0 reviews     Review now
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                Author and article information

                Journal
                Journal ID (nlm-ta): Chem Rev
                Journal ID (iso-abbrev): Chem. Rev
                Journal ID (publisher-id): cr
                Journal ID (coden): chreay
                Title: Chemical Reviews
                Publisher: American Chemical Society
                ISSN (Print): 0009-2665
                ISSN (Electronic): 1520-6890
                Publication date (Electronic): 12 March 2019
                Publication date (Print): 10 April 2019
                Volume: 119
                Issue: 7
                Pages: 4569-4627
                Affiliations
                [† ]Laboratoire de Réactivité et Chimie des Solides (LRCS), CNRS UMR 7314, Université de Picardie Jules Verne , Hub de l’Energie, 15 Rue Baudelocque, 80039 Amiens Cedex 1, France
                [‡ ]Réseau sur le Stockage Electrochimique de l’Energie (RS2E) , CNRS FR 3459, Hub de l’Energie, 15 Rue Baudelocque, 80039 Amiens Cedex 1, France
                [§ ]ALISTORE-European Research Institute , CNRS FR 3104, Hub de l’Energie, 15 Rue Baudelocque, 80039 Amiens Cedex 1, France
                [∥ ]Institut Universitaire de France , 103 boulevard Saint Michel, 75005 Paris, France
                [⊥ ]Department of Chemistry − Ångström Laboratory , Box 538, SE-75121 Uppsala, Sweden
                [@ ]Department for Materials Chemistry, National Institute of Chemistry , Hajdrihova 19, SI-1000 Ljubljana, Slovenia
                [# ]Department of Physics, Chalmers University of Technology , SE-412 96 Göteborg, Sweden
                [▽ ]Faculty of Chemistry, Warsaw University of Technology , Noakowskiego 3, 00-664 Warsaw, Poland
                Author notes
                Article
                DOI: 10.1021/acs.chemrev.8b00239
                PMC ID: 6460402
                PubMed ID: 30859816
                SO-VID: 56d78abd-fcd8-4957-aed0-f9437d876e3a
                Copyright © Copyright © 2019 American Chemical Society
                License:

                This is an open access article published under an ACS AuthorChoice License, which permits copying and redistribution of the article or any adaptations for non-commercial purposes.

                History
                Date received : 18 April 2018
                Categories
                Subject: Review
                Custom metadata
                document-id-old-9 cr8b00239
                document-id-new-14 cr-2018-00239q
                ccc-price

                ScienceOpen disciplines: Chemistry
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                ScienceOpen disciplines: Chemistry

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