Folorunso, OHamam, YSadiku, RRay, Suprakas SJoseph Adekoya, GJ2020-06-032020-06-032020-03Folorunso, O. et al. 2020. Theoretical analysis of borophene for lithium ion electrode. Materials Today: Proceedings, https://doi.org/10.1016/j.matpr.2020.02.2852214-7853https://www.sciencedirect.com/science/article/pii/S2214785320310403https://doi.org/10.1016/j.matpr.2020.02.285http://hdl.handle.net/10204/11446Copyright: 2020 Elsevier. evier. Due to copyright restrictions, the attached PDF file only contains the abstract of the full text item. For access to the full text item, please consult the publisher's website: https://doi.org/10.1016/j.matpr.2020.02.285Borophene, a 2-dimensional material with efficacious properties (electrical, thermal and mechanical), is a very promising material that is expected to contribute, significantly, in the revolutionization of electrochemical energy storage, for improved energy and power density. In order to prove the potency of borophene as a potential anode electrode in lithium-ion batteries, density function theory simulation is performed. The study considered the interaction of stable striped, (), and honeycomb (Hb) borophene, with lithium ions. The main interest is to investigate the adsorption energy of the materials, and their specific capacities. The calculated average adsorption energies for the two promising electrodes are: -1.710 eV, and -0.517 eV. Moreover, the estimated specific capacities of the batteries, are: 929 mAh/g and 584 mAh/g; these results evidently proved that borophene may deliver the total energy demand of the globe, if more attention is paid into it, through dedicated research and development.enBoropheneEnergy storageDensity function theoryLithium ionSimulationArticleFolorunso, O., Hamam, Y., Sadiku, R., Ray, S. S., & Joseph Adekoya, G. (2020). Theoretical analysis of borophene for lithium ion electrode. http://hdl.handle.net/10204/11446Folorunso, O, Y Hamam, R Sadiku, Suprakas S Ray, and GJ Joseph Adekoya "Theoretical analysis of borophene for lithium ion electrode." (2020) http://hdl.handle.net/10204/11446Folorunso O, Hamam Y, Sadiku R, Ray SS, Joseph Adekoya G. Theoretical analysis of borophene for lithium ion electrode. 2020; http://hdl.handle.net/10204/11446.TY - Article AU - Folorunso, O AU - Hamam, Y AU - Sadiku, R AU - Ray, Suprakas S AU - Joseph Adekoya, GJ AB - Borophene, a 2-dimensional material with efficacious properties (electrical, thermal and mechanical), is a very promising material that is expected to contribute, significantly, in the revolutionization of electrochemical energy storage, for improved energy and power density. In order to prove the potency of borophene as a potential anode electrode in lithium-ion batteries, density function theory simulation is performed. The study considered the interaction of stable striped, (), and honeycomb (Hb) borophene, with lithium ions. The main interest is to investigate the adsorption energy of the materials, and their specific capacities. The calculated average adsorption energies for the two promising electrodes are: -1.710 eV, and -0.517 eV. Moreover, the estimated specific capacities of the batteries, are: 929 mAh/g and 584 mAh/g; these results evidently proved that borophene may deliver the total energy demand of the globe, if more attention is paid into it, through dedicated research and development. DA - 2020-03 DB - ResearchSpace DP - CSIR KW - Borophene KW - Energy storage KW - Density function theory KW - Lithium ion KW - Simulation LK - https://researchspace.csir.co.za PY - 2020 SM - 2214-7853 T1 - Theoretical analysis of borophene for lithium ion electrode TI - Theoretical analysis of borophene for lithium ion electrode UR - http://hdl.handle.net/10204/11446 ER -