The Study of Band Structure of Graphite Intercalation Compound Containing Sodium Calculated Using Density Functional Theory

Sodium intercalation in graphite (GIC-Na) was investigated by the first principle calculation. The structure of GIC-Na was calculated using density functional theory (DFT) with the aid of CASTEP module of Material Studio. The exchange correlation functional has been treat by local density approximat...

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Bibliographic Details

Main Authors:	Rosli, AN, Wahab, IF, Zabidi, NA, Abu Kassim, H
Format:	Proceedings Paper
Language:	English en_US
Published:	IOP Publishing Ltd 2024
Subjects:	density functional theory graphite intercalation compound Na
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