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All Journal Jurnal Riset Kimia
Fitria Rahmawati
Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Sebelas Maret
Chemistry

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The Effect Of Sulphur (S) Doping and K+ Adsorption To The Electronic Properties Of Graphene: A Study By DFTB Method Yuniawan Hidayat; Fitria Rahmawati; Eddy Heraldy; Khoirina Nugrahaningtyas; IF Nurcahyo
Jurnal Riset Kimia Vol. 13 No. 2 (2022): September
Publisher : Universitas Andalas

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.25077/jrk.v13i2.485

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.
Co-Authors Eddy Heraldy IF Nurcahyo Khoirina Nugrahaningtyas Yuniawan Hidayat