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Understanding Ionic Diffusion Mechanisms in Li2S Coatings for Solid-State Batteries: Development of a Tailored Reactive Force Field for Multiscale Simulations.
D'Amore, Maddalena; Yang, Moon Young; Das, Tridip; Ferrari, Anna Maria; Kim, Minho M; Rocca, Riccardo; Sgroi, Mauro; Fortunelli, Alessandro; Goddard, William A.
Afiliação
  • D'Amore M; Dipartimento di Chimica, Università di Torino, Via P. Giuria 5, Torino 10125, Italy.
  • Yang MY; Materials and Process Simulation Center (139-74), California Institute of Technology, Pasadena, California 91125, United States.
  • Das T; Materials and Process Simulation Center (139-74), California Institute of Technology, Pasadena, California 91125, United States.
  • Ferrari AM; Dipartimento di Chimica, Università di Torino, Via P. Giuria 5, Torino 10125, Italy.
  • Kim MM; Department of Chemistry, Korea Advanced Institute of Science and Technology (KAIST), Daejeon 34141, Republic of Korea.
  • Rocca R; Dipartimento di Chimica, Università di Torino, Via P. Giuria 5, Torino 10125, Italy.
  • Sgroi M; Centro Ricerche FIAT S.C.p.A., Strada Torino 50, Orbassano, Turin 10043, Italy.
  • Fortunelli A; Dipartimento di Chimica, Università di Torino, Via P. Giuria 5, Torino 10125, Italy.
  • Goddard WA; CNR-ICCOM, Consiglio Nazionale delle Ricerche, via Giuseppe Moruzzi 1, Pisa 56124, Italy.
J Phys Chem C Nanomater Interfaces ; 127(47): 22880-22888, 2023 Nov 30.
Article em En | MEDLINE | ID: mdl-38053625
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2023 Tipo de documento: Article