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Li-diffusion at the interface between Li-metal and [Pyr14][TFSI]-ionic liquid: Ab initio molecular dynamics simulations.
Merinov, Boris V; Naserifar, Saber; Zybin, Sergey V; Morozov, Sergey; Goddard, William A; Lee, Jinuk; Lee, Jae Hyun; Han, Hyea Eun; Choi, Young Cheol; Kim, Seung Ha.
Affiliation
  • Merinov BV; Materials and Process Simulation Center (MSC), California Institute of Technology (Caltech), Pasadena, California 91125, USA.
  • Naserifar S; Materials and Process Simulation Center (MSC), California Institute of Technology (Caltech), Pasadena, California 91125, USA.
  • Zybin SV; Materials and Process Simulation Center (MSC), California Institute of Technology (Caltech), Pasadena, California 91125, USA.
  • Morozov S; South Ural State University, 76 Lenin Avenue, Chelyabinsk 454080, Russia.
  • Goddard WA; Materials and Process Simulation Center (MSC), California Institute of Technology (Caltech), Pasadena, California 91125, USA.
  • Lee J; Battery R&D, LG Chem, Yuseong-Gu, Daejeon 34122, South Korea.
  • Lee JH; Battery R&D, LG Chem, Yuseong-Gu, Daejeon 34122, South Korea.
  • Han HE; Battery R&D, LG Chem, Yuseong-Gu, Daejeon 34122, South Korea.
  • Choi YC; Battery R&D, LG Chem, Yuseong-Gu, Daejeon 34122, South Korea.
  • Kim SH; Battery R&D, LG Chem, Yuseong-Gu, Daejeon 34122, South Korea.
J Chem Phys ; 152(3): 031101, 2020 Jan 21.
Article in En | MEDLINE | ID: mdl-31968966
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Phys Year: 2020 Type: Article Affiliation country: United States
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Phys Year: 2020 Type: Article Affiliation country: United States