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Metallic borophene polytypes as lightweight anode materials for non-lithium-ion batteries

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Abstract

Applications of rechargeable non-lithium-ion batteries (Na+, K+, Ca2+, Mg2+, and Al3+ NLIBs) are significantly hampered by the deficiency of suitable electrode materials. Searching for anode materials with desirable electrochemical performance is urgent for the large-scale energy storage demands of next generation renewable energy technologies. In this study, three types of recently synthesized borophenes are predicted to serve as high-performing anodes for NLIBs based on density functional theory. All the borophenes considered here are metallic with favorable in-plane stiffness. Dirac fermions were identified in two types of borophenes, guaranteeing their high electron mobility. Moreover, borophene configuration-dependent metal-ion migration, theoretical capacities, and open-circuit voltages were demonstrated with respect to the different adsorption behaviors and atom mass densities of anode materials. Our results provide insights into the configuration-dependent electrode performance of borophene and the corresponding metal-ion storage mechanism.

Graphical abstract: Metallic borophene polytypes as lightweight anode materials for non-lithium-ion batteries

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Publication details

The article was received on 24 Jul 2017, accepted on 22 Aug 2017 and first published on 22 Aug 2017


Article type: Paper
DOI: 10.1039/C7CP04989G
Citation: Phys. Chem. Chem. Phys., 2017, Advance Article
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    Metallic borophene polytypes as lightweight anode materials for non-lithium-ion batteries

    P. Xiang, X. Chen, W. Zhang, J. Li, B. Xiao, L. Li and K. Deng, Phys. Chem. Chem. Phys., 2017, Advance Article , DOI: 10.1039/C7CP04989G

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