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Hybrid Carbon-Based Clathrates for Energy Storage

Materials Engineering Department, Southwest Research Institute, San Antonio, TX 78238, USA
Received: 9 November 2017 / Revised: 3 January 2018 / Accepted: 18 January 2018 / Published: 22 January 2018
(This article belongs to the Special Issue Carbon Hybrid Materials)
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Abstract

Hybrid carbon–silicon, carbon–nitrogen, and carbon–boron clathrates are new classes of Type I carbon-based clathrates that have been identified by first-principles computational methods by substituting atoms on the carbon clathrate framework with Si, N, and/or B atoms. The hybrid framework is further stabilized by embedding appropriate guest atoms within the cavities of the cage structure. Series of hybrid carbon–silicon, carbon–boron, carbon–nitrogen, and carbon-silicon-nitrogen clathrates have been shown to exhibit small positive values for the energy of formation, indicating that they may be metastable compounds and amenable to fabrication. In this overview article, the energy of formation, elastic properties, and electronic properties of selected hybrid carbon-based clathrates are summarized. Theoretical calculations that explore the potential applications of hybrid carbon-based clathrates as energy storage materials, electronic materials, or hard materials are presented. The computational results identify compositions of hybrid carbon–silicon and carbon–nitrogen clathrates that may be considered as candidate materials for use as either electrode materials for Li-ion batteries or as hydrogen storage materials. Prior processing routes for fabricating selected hybrid carbon-based clathrates are highlighted and the difficulties encountered are discussed. View Full-Text
Keywords: carbon clathrates; hybrid carbon–silicon clathrates; hybrid carbon–nitrogen clathrates; electrode materials; hydrogen storage materials; energy storage materials; hard materials carbon clathrates; hybrid carbon–silicon clathrates; hybrid carbon–nitrogen clathrates; electrode materials; hydrogen storage materials; energy storage materials; hard materials
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).
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Chan, K.S. Hybrid Carbon-Based Clathrates for Energy Storage. C 2018, 4, 7.

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