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Novel Materials for Electrochemical Energy Storage Systems

A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Energy Materials".

Deadline for manuscript submissions: closed (20 July 2024) | Viewed by 918

Special Issue Editor


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Guest Editor
School of Chemistry and Chemical Engineering, Guizhou University, Guiyang 550025, China
Interests: lithium battery; sodium battery; high-capacity electrode

Special Issue Information

Dear Colleagues,

To meet the increasingly stringent requirements for portable electronics and electrical vehicles, high-capacity anode materials have attracted much attention for their application in improving the energy density of lithium-ion batteries. Additionally, the development of high-energy-density and low-cost options, such as the emerging lithium/sodium metal battery, has been a focus of much recent research. This Special Issue, “Novel Materials for Electrochemical Energy Storage Systems”, aims to provide a platform for the publication of original articles and comprehensive reviews on all aspects of the fundamental science and applied research of electrode materials used for high-energy-density rechargeable batteries. We welcome the submission of papers exploring a diverse range of materials, including but not limited to high-capacity silicon/tin/phosphorus-based anodes, metallic lithium/sodium anodes, lithium/sulfur battery cathodes, and electrolytes. Contributions to this Special Issue will be of great interest to researchers working with novel materials, rechargeable batteries, and energy storage. Consequently, we welcome research works from these areas of expertise.

Dr. Lin Fu
Guest Editor

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Keywords

  • high-energy density rechargeable batteries
  • high-capacity anode materials
  • metallic lithium/sodium anodes
  • lithium–sulfur battery cathodes
  • electrolytes

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Published Papers (1 paper)

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Research

13 pages, 9191 KiB  
Article
Theoretical Investigation of a Novel Two-Dimensional Non-MXene Mo3C2 as a Prospective Anode Material for Li- and Na-Ion Batteries
by Bo Xue, Qingfeng Zeng, Shuyin Yu and Kehe Su
Materials 2024, 17(15), 3819; https://doi.org/10.3390/ma17153819 - 2 Aug 2024
Viewed by 658
Abstract
A new two-dimensional (2D) non-MXene transition metal carbide, Mo3C2, was found using the USPEX code. Comprehensive first-principles calculations show that the Mo3C2 monolayer exhibits thermal, dynamic, and mechanical stability, which can ensure excellent durability in practical [...] Read more.
A new two-dimensional (2D) non-MXene transition metal carbide, Mo3C2, was found using the USPEX code. Comprehensive first-principles calculations show that the Mo3C2 monolayer exhibits thermal, dynamic, and mechanical stability, which can ensure excellent durability in practical applications. The optimized structures of Lix@(3×3)-Mo3C2 (x = 1–36) and Nax@(3×3)-Mo3C2 (x = 1–32) were identified as prospective anode materials. The metallic Mo3C2 sheet exhibits low diffusion barriers of 0.190 eV for Li and 0.118 eV for Na and low average open circuit voltages of 0.31–0.55 V for Li and 0.18–0.48 V for Na. When adsorbing two layers of adatoms, the theoretical energy capacities are 344 and 306 mA h g−1 for Li and Na, respectively, which are comparable to that of commercial graphite. Moreover, the Mo3C2 substrate can maintain structural integrity during the lithiation or sodiation process at high temperature. Considering these features, our proposed Mo3C2 slab is a potential candidate as an anode material for future Li- and Na-ion batteries. Full article
(This article belongs to the Special Issue Novel Materials for Electrochemical Energy Storage Systems)
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