DFT Study of Borophene/Graphene (B/G) Heterostructure Properties as Sodium-Ion Battery Anode

Faozan Ahmad; Teja Alkori; Husin Alatas

doi:10.58915/ijneam.v16iDECEMBER.383

Authors

Faozan Ahmad
Teja Alkori
Husin Alatas

DOI:

https://doi.org/10.58915/ijneam.v16iDECEMBER.383

Keywords:

Sodium-ion battery, heterostructure anode, borophene/graphene

Abstract

As an alternative to lithium-ion batteries, sodium-ion batteries are gaining more attention as a solution to issues including the high cost and restricted supply of lithium. Nonetheless, issues including low voltage, limited capacity, and low electrode material capacity need to be fixed for sodium-ion battery applications. The proposed borophene/graphene heterostructure anode material for sodium-ion batteries was studied using density functional theory (DFT) to ascertain its properties. The findings demonstrate that there is sufficient interlayer spacing in the borophene/graphene heterostructure to allow for Na-intercalation. The interspace heterostructure has the highest Na adsorption energy of -2.02 eV. As a result, its maximum energy specific capacity is around 969.65 mAh/g. The borophene/graphene heterostructure anode exhibits strong diffusivity of Na ions, as evidenced by the activation energy of Na ion mobility in the heterostructure being less than 0.2 eV.

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