Inducing an Amorphous Phase in Polymer Plastic Crystal Electrolyte for Effective Ion Transportation in Lithium Metal Batteries

Bitgaram Kim, Su Hyun Yang, Ji Hun Seo, Yun Chan Kang

Research output: Contribution to journalArticlepeer-review


Polymer plastic crystal electrolytes (PPCEs) have garnered significant attention for addressing the challenges associated with succinonitrile (SN), including its inadequate mechanical properties and side reactions with electrodes. However, a comprehensive investigation of the influence of the molecular structure of the polymer network on the states of SN within the network and its subsequent impact on ionic conductivities remains largely unexplored. To shed light on this critical aspect, the binding energy between SN and the polymer moiety is investigated as a determining factor in the conformation and crystallization behavior of SNs, through the dispersion-corrected density functional theory (DFT-D) simulations. These findings reveal that variations in miscibility resulting from the effects of binding energy significantly affected the formation of the amorphous phase in PPCEs. As a result, vinyl ethylene carbonate (VEC)-based PPCE exhibits high ionic conductivity at room temperature (2.6 × 10−3 S cm−1 at 25 °C) and possesses a completely amorphous phase, which can be attributed to the optimized miscibility among its components. The feasibility of using a high-performance solid-state lithium-metal battery (LMB) configuration is also examined by combining the PPCE with LiFePO4 (LFP) and LiNi0.8Co0.1Mn0.1O2 (NCM811) cathode materials.

Original languageEnglish
Article number2310957
JournalAdvanced Functional Materials
Issue number7
Publication statusPublished - 2024 Feb 12

Bibliographical note

Publisher Copyright:
© 2023 Wiley-VCH GmbH.


  • plastic crystals
  • polymer electrolytes
  • solid-state electrolytes
  • succinonitrile
  • vinyl ethylene carbonate

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • General Chemistry
  • Biomaterials
  • General Materials Science
  • Condensed Matter Physics
  • Electrochemistry


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