Integrated and differential quantum capacitance of graphene: A DFT study

Boddepalli Santhi Bhushan,Anurag Srivastava

doi:10.1063/1.5033300

Integrated and differential quantum capacitance of graphene: A DFT study

Boddepalli Santhi Bhushan, Anurag Srivastava

https://doi.org/10.1063/1.5033300

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Publication Date: Jan 1, 2018

Citations: 1

Affiliation: Atal Bihari Vajpayee Indian Institute of Information Technology and Management

#Linear Combination Of Atomic Orbitals #Density Functional Theory Code + Show 8 more

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Abstract

We report the comparative analysis of integrated and differential quantum capacitance of grapheme, extracted from Plane Wave (PW) and Linear Combination of Atomic Orbitals (LCAO) based Density Functional Theory (DFT) calculators. A plane wave DFT code Quantum Espresso and LCAO DFT code Atomistix Toolkit have been utilized for the purpose. The results suggest that both the PW and LCAO calculators offer equivalent quantum capacitance for graphene, are in good agreement with other reports.

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