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Title
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Li, Na and K Storage Capacity of a Novel 2D Graphitic Carbon-Nitride Membrane, C9N4:A Computational Approach
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Type
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JournalPaper
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Keywords
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C9N4; Li batteries; DFT; storage; diffusion.
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Abstract
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Density functional theory calculations are used to determine the Li, Na, and K storage capacity of a novel 2D graphitic carbon-nitride membrane, C9N4. Three types of pores are present in C9N4 which are regarded as the favorite sites to adsorb metal atoms. According to the results, this graphene-like porous membrane may be an innovative anode material with a substantial storage capacity of 642 mAh.g-1. Furthermore, this theoretical investigation reveals that Li can easily diffuse between bulk C9N4 layers with an energy barrier of 0.16 eV.
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Researchers
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(Third Researcher), Mehdi D. Esrafili (Second Researcher), Safa Heydari (First Researcher)
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