Skip to content
DraconiticResearch
Search Sources API
197,768 studies31 sourcesUpdated 42 min ago
PreprintLicence not statedChemRxiv

Computational Modeling of Electrolytes and the Solid–Electrolyte Interphase (SEI) in Li-Ion Batteries: A 30-Year Odyssey from DFT/MD/MC to AI–A Comprehensive Review

  • Ilya V. Chepkasov1
  • Alexey S. Galushko2
  • Viktor S. Baidyshev1
  • Mikhail N. Khrizanforov2
  • Vladimir Ya. Lee2
  • Valentine P. Ananikov2
  1. 1Skolkovo Institute of Science and Technology, Bolshoy Boulevard 30, bld. 1, Moscow, Russia, 121205
  2. 2Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences
Open at sourceDOICite

Related

  1. Stable lithium/electrolyte interphase enabled by tailoring Li+ solvation structure and FEC additive in LiOTf/LiNO3 dual-salt sulfolane-based nonflammable electrolyte for lithium metal batteries
    Chun-Jern Pan, Yi-Yu Chen, Jia-He Peng +2
    Electrochemistry CommunicationsPeer-reviewedCC BY-NC 4.0Full textElectrochemistry & energyCrossrefDOAJ
  2. How to Discover New Electrolyte Additives for Lithium Batteries: A Computational Roadmap
    Ilya V. Chepkasov, Alexey S. Galushko, Mikhail N. Khrizanforov +2
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  3. Multifunctional LiClO4 for Polymerization Regulation, Ionic Conduction, and Interphase Formation in In Situ Poly(tetrahydrofuran) Gel Polymer Electrolytes
    Si-Han Peng, Wei-Fan Kuan, Shingjiang Jessie Lue
    PolymersPeer-reviewedCC BYFull textMaterials & polymersEurope PMC
  4. Complementary anion chemistry enabling coordination pre-organization towards a robust disordered interphase for long-life aqueous Zn batteries
    Xiaoxin Nie, Yujiao Yang, Xin Liu +4
    Chemical sciencePeer-reviewedCC BY-NCFull textOrganic chemistryEurope PMC
  5. Symmetric dual-interphase design enables stable lithium-metal anodes for high rate ultrahigh-nickel all-solid-state batteries
    Chen Liu, Zhuolin Zhong, Lin Li +6
    Chemical sciencePeer-reviewedCC BY-NCFull textOrganic chemistryEurope PMC

Cite

BibTeXRIS
BibTeX
@misc{chepkasov2026computational,
  title = {{Computational Modeling of Electrolytes and the Solid–Electrolyte Interphase (SEI) in Li-Ion Batteries: A 30-Year Odyssey from DFT/MD/MC to AI–A Comprehensive Review}},
  author = {Ilya V. Chepkasov and Alexey S. Galushko and Viktor S. Baidyshev and Mikhail N. Khrizanforov and Vladimir Ya. Lee and Valentine P. Ananikov},
  howpublished = {ChemRxiv},
  year = {2026},
  month = nov,
  doi = {10.26434/chemrxiv.15011695/v1},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011695/v1},
}
RIS
TY  - UNPB
TI  - Computational Modeling of Electrolytes and the Solid–Electrolyte Interphase (SEI) in Li-Ion Batteries: A 30-Year Odyssey from DFT/MD/MC to AI–A Comprehensive Review
AU  - Ilya V. Chepkasov
AU  - Alexey S. Galushko
AU  - Viktor S. Baidyshev
AU  - Mikhail N. Khrizanforov
AU  - Vladimir Ya. Lee
AU  - Valentine P. Ananikov
PY  - 2026
DA  - 2026/11/04
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.15011695/v1
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011695/v1
ER  -