Decomposition of LiPF6 and stability of PF5 in li-ion battery electrolytes: Density functional theory and molecular dynamics studies
- Author
- TASAKI, Ken1 ; KANDA, Katsuya2 ; NAKAMURA, Shinichiro2 ; UE, Makoto3
[1] Mitsubishi Chemical Research and Innovation Center, Goleta, California 93117, United States
[2] Mitsubishi Chemical Corporation, Science & Technology Research Center; Computational Modeling of Materials Laboratory, Yokohama, Kanagawa 227-8502, Japan
[3] Mitsubishi Chemical Corporation, Science & Technology Research Center, Electrochemistry Laboratory & Battery System Design Laboratory, Inashiki, Ibaraki 300-0332, Japan - Source
Journal of the Electrochemical Society. 2003, Vol 150, Num 12, pp A1628-A1636 ; ref : 31 ref
- CODEN
- JESOAN
- ISSN
- 0013-4651
- Scientific domain
- General chemistry, physical chemistry; Crystallography; Electrical engineering; Condensed state physics
- Publisher
- Electrochemical Society, Pennington, NJ
- Publication country
- United States
- Document type
- Article
- Language
- English
- Keyword (fr)
- Accumulateur électrochimique Accumulateur électrolyte organique Batterie lithium Etude théorique Lithium Hexafluorophosphate Méthode Hartree Fock Méthode dynamique moléculaire Méthode fonctionnelle densité Paramètre thermodynamique Propriété électronique Solution aqueuse Solution électrolyte Stabilité chimique Structure solution Métal alcalin Composé
- Keyword (en)
- Secondary cell Organic electrolyte storage battery Lithium batteries Theoretical study Lithium Hexafluophosphates Hartree Fock method Molecular dynamics method Density functional method Thermodynamic parameter Electronic properties Aqueous solution Electrolyte solution Chemical stability Solution structure Alkali metal Compounds
- Keyword (es)
- Acumulador electroquímico Acumulador electrolito orgánico Estudio teórico Litio Hexafluorofosfato Método Hartree Fock Método dinámico molecular Parámetro termodinámico Propiedad electrónica Solución acuosa Solución electrólito Estabilidad química Estructura solución Metal alcalino Compuesto
- Classification
- Pascal
- 001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry / 001C01B Solutions / 001C01B02 Solution properties
- Pascal
- 001 Exact sciences and technology / 001D Applied sciences / 001D05 Electrical engineering. Electrical power engineering / 001D05I Electrical power engineering / 001D05I03 Direct energy conversion and energy accumulation / 001D05I03E Electrochemical conversion: primary and secondary batteries, fuel cells
- Discipline
- Electrical engineering. Electroenergetics General chemistry and physical chemistry
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 15335418
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1149/1.1622406 
https://dx.doi.org/10.1149/1.1622406
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