Charge transport properties of interstitially doped graphene: a first-principles study
Penulis/Author
DWI NUGRAHENI R (1); Moh. Adhib Ulil Absor, S.Si., M.Sc., Ph.D. (2); Prof. Dr. Eng. Kuwat Triyana, M.Si. (3); Dr. Iman Santoso, S.Si., M.Sc. (4)
Tanggal/Date
8 2023
Kata Kunci/Keyword
Abstrak/Abstract
The role of interstitial atomic doping on transport properties of graphene was systematically
studied using first-principles density functional theory (DFT). The study revealed that interstitial
Au doping results in a p-type transfer of holes to graphene as the dopant concentration increases
to 25%, with the Dirac point shifting to the Fermi level and localised states of atomic dopants
appearing at the Fermi level and at energy of −1 eV. Ca, Ag and Al interstitial doping induces an
n-type transfer of electrons to graphene with the Dirac point moving away from the Fermi level
and localised states appearing at the Fermi level and at energy levels of ∼2 eV for Ca, around
−3.5 eV for Ag, −3.5 eV and ∼1.6 eV for Al. As the dopant concentration increases further to
50%, the number of holes (or electrons) decreases for all dopants, except for Ca, as the localised
state at the Fermi level disappears, and the Dirac point returns towards the Fermi level. Our
research provides insights into how to reconcile the localised state and the number of charge
carriers that play a significant role in the transport properties of interstitial doped graphene.
Rumpun Ilmu
Fisika
Bahasa Asli/Original Language
English
Level
Internasional
Status
Dokumen Karya
No
Judul
Tipe Dokumen
Aksi
1
Rositawati_Santoso_ansn_14_3_035010(2023)_Charge transport properties of interstitially doped graphene.pdf
