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A Review on the Molecular Modeling of Argyrodite Electrolytes for All-Solid-State Lithium Batteries

Author

Listed:
  • Oluwasegun M. Ayoola

    (Department of Mechanical Engineering, The University of Akron, Akron, OH 44325, USA)

  • Alper Buldum

    (Department of Mechanical Engineering, The University of Akron, Akron, OH 44325, USA)

  • Siamak Farhad

    (Department of Mechanical Engineering, The University of Akron, Akron, OH 44325, USA)

  • Sammy A. Ojo

    (Department of Mechanical Engineering, The University of Akron, Akron, OH 44325, USA)

Abstract

Solid-state argyrodite electrolytes are promising candidate materials to produce safe all-solid-state lithium batteries (ASSLBs) due to their high ionic conductivity. These batteries can be used to power electric vehicles and portable consumer electronics which need high power density. Atomic-scale modeling with ab initio calculations became an invaluable tool to better understand the intrinsic properties and stability of these materials. It is also used to create new structures to tailor their properties. This review article presents some of the recent theoretical investigations based on atomic-scale modeling to study argyrodite electrolytes for ASSLBs. A comparison of the effectiveness of argyrodite materials used for ASSLBs and the underlying advantages and disadvantages of the argyrodite materials are also presented in this article.

Suggested Citation

  • Oluwasegun M. Ayoola & Alper Buldum & Siamak Farhad & Sammy A. Ojo, 2022. "A Review on the Molecular Modeling of Argyrodite Electrolytes for All-Solid-State Lithium Batteries," Energies, MDPI, vol. 15(19), pages 1-21, October.
    • Handle: RePEc:gam:jeners:v:15:y:2022:i:19:p:7288-:d:933184
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    References listed on IDEAS

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    1. Yuki Kato & Satoshi Hori & Toshiya Saito & Kota Suzuki & Masaaki Hirayama & Akio Mitsui & Masao Yonemura & Hideki Iba & Ryoji Kanno, 2016. "High-power all-solid-state batteries using sulfide superionic conductors," Nature Energy, Nature, vol. 1(4), pages 1-7, April.
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    Cited by:

    1. Joshua Dunham & Joshua Carfang & Chan-Yeop Yu & Raziyeh Ghahremani & Rashid Farahati & Siamak Farhad, 2023. "Ionic Conductivity of the Li 6 PS 5 Cl 0.5 Br 0.5 Argyrodite Electrolyte at Different Operating and Pelletizing Pressures and Temperatures," Energies, MDPI, vol. 16(13), pages 1-15, July.
    2. Hamid Khatibi & Eman Hassan & Dominic Frisone & Mahdi Amiriyan & Rashid Farahati & Siamak Farhad, 2022. "Recycling and Reusing Copper and Aluminum Current-Collectors from Spent Lithium-Ion Batteries," Energies, MDPI, vol. 15(23), pages 1-15, November.

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