A DFT study on the fundamental mechanisms of quantum capacitance enhancement within the carbon-based electrodes through different classes of doped configurations from biomass-derived elements

A DFT study on the fundamental mechanisms of quantum capacitance enhancement within the carbon-based electrodes through different classes of doped configurations from biomass-derived elements

Density functional calculations were performed on 15 functionalized graphene models to investigate the enhancement of quantum capacitance (CQ) by common dopant elements N, P, S, and O from biomaterials. Geometry optimizations and formation energy calculations demonstrated that the van der Waals radi...

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Bibliographic Details
Main Authors: Threrawee Sanglaow, Kittiya Prasert, Chalathorn Chanthad, Monrudee Liangruksa, Thana Sutthibutpong
Format: Article
Language:English
Published: Elsevier 2024-03-01
Series:Results in Materials
Subjects:
Density functional theory
Doped graphene
Electronic structure
Quantum capacitance
Online Access:http://www.sciencedirect.com/science/article/pii/S2590048X24000037

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http://www.sciencedirect.com/science/article/pii/S2590048X24000037

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