With the help of density functional theory, twin-graphene1 bilayer based nanoscale capacitor and nanoscale dielectric capacitor are designed2. Electronic properties are significantly changed due to different stacking configurations. Among the considered stacking modes, AB stacking mode is the most stable one with a band gap of 0.553 eV2. Our predicted energy and charge-storage capacities are higher than other nanoscale capacitor designed using other two-dimensional carbon allotropies2. The magnificent capacitance of our proposed models ensures their promising applications for designing next-generation nanoscale capacitors2. Also, a twin-graphene based anode material is investigated for the use in rechargeable ion batteries with sodium as the intercalating ion3. We have obtained a theoretical capacitance of 496.2 mAh/g for Na adsorbed twin graphene which is significantly higher than many other carbon allotropies3. From NEB calculations, a low diffusion barrier in twin-graphene suggests good diffusivity and with a moderate value of open-circuit voltage (OCV) twin-graphene is a good choice for application as anode material in Na ion rechargeable batteries (NIBs)3.

Designing of energy storage devices based on twin-graphene

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27th CRSI National Symposium in Chemistry

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