TY - JOUR
T1 - Theoretical analysis of borophene for lithium ion electrode
AU - Folorunso, Oladipo
AU - Hamam, Yskandar
AU - Sadiku, Rotimi
AU - Ray, Suprakas Sinha
AU - Adekoya, Gbolahan Joseph
N1 - Publisher Copyright:
© 2019 Elsevier Ltd. All rights reserved. Selection and peer-review under responsibility of the scientific committee of the International Symposium on Nanostructured, Nanoengineered and Advanced Materials.
PY - 2021/1/1
Y1 - 2021/1/1
N2 - 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.
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, (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.
KW - Borophene
KW - Density function theory
KW - Energy storage
KW - Lithium ion
KW - Simulation
UR - http://www.scopus.com/inward/record.url?scp=85105520496&partnerID=8YFLogxK
U2 - 10.1016/j.matpr.2020.02.285
DO - 10.1016/j.matpr.2020.02.285
M3 - Conference article
AN - SCOPUS:85105520496
SN - 2214-7853
VL - 38
SP - 485
EP - 489
JO - Materials Today: Proceedings
JF - Materials Today: Proceedings
T2 - 2020 International Symposium on Nanostructured, Nanoengineered and Advanced Materials, ISNNAM 2020
Y2 - 30 April 2020 through 3 May 2020
ER -