Theoretical analysis of borophene for lithium ion electrode

Oladipo Folorunso, Yskandar Hamam, Rotimi Sadiku, Suprakas Sinha Ray, Gbolahan Joseph Adekoya

Research output: Contribution to journalConference articlepeer-review

5 Citations (Scopus)

Abstract

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, (β12), 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.

Original languageEnglish
Pages (from-to)485-489
Number of pages5
JournalMaterials Today: Proceedings
Volume38
DOIs
Publication statusPublished - 1 Jan 2021
Event2020 International Symposium on Nanostructured, Nanoengineered and Advanced Materials, ISNNAM 2020 - Gold Reef City, South Africa
Duration: 30 Apr 20203 May 2020

Keywords

  • Borophene
  • Density function theory
  • Energy storage
  • Lithium ion
  • Simulation

ASJC Scopus subject areas

  • General Materials Science

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