The Effect Of Sulphur (S) Doping and K+ Adsorption To The Electronic Properties Of Graphene: A Study By DFTB Method
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Published:2022-09-30
Issue:2
Volume:13
Page:130-137
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ISSN:2476-8960
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Container-title:Jurnal Riset Kimia
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language:
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Short-container-title:J.Ris.Kim.
Author:
Hidayat YuniawanORCID,
Rahmawati Fitria,
Heraldy Eddy,
Nugrahaningtyas Khoirina,
Nurcahyo IF
Abstract
A study on the effect of S doping and K+ adsorption to the electronic properties of graphene has been conducted by DFTB (Density Functional Tight Binding) calculation. The supercell of 40 x 40 x 1 configured from the 4x4x1 unit cell of graphene was optimized. The calculation shows that the Fermi level of graphene shifted from -4.67 eV into -3.57 eV after S doping. In addition, the S presence caused the formation of gap within the Dirac K of valence band and conduction band. Meanwhile, K+ charge distribution was dominantly occurred within the S-graphene than the graphene.
Publisher
Universitas Andalas
Subject
Management, Monitoring, Policy and Law,Geography, Planning and Development
Cited by
1 articles.
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