Research Information System
Thesis Type: Postgraduate
Institution Of The Thesis: Gazi Üniversitesi, Fen Bilimleri Enstitüsü, Turkey
Approval Date: 2018
Student: ÖZNUR ÖMEROĞLU
Supervisor: SEFER BORA LİŞESİVDİN
Abstract:Within the scope of this thesis, the electronic properties of graphene sheets doped with group IIB elements Zn, Cd and Hg are investigated by using Local Density Approach (LDA) with Density Functional Theory (DFT). Adatom doping of the impurity atoms, Zn, Cd and Hg have been calculated at three different positions of the two dimensional graphene sheet as hollow (H), top (T) and bridge (B) locations. Also, substitutional doping of the same impurity atoms instead of carbon atoms have been investigated within the graphene sheet. Calculations of the basic electronic properties such as density of states (DOS) and the electronic band structures achieved by adatom and substitutional doping of the graphene sheet have been done. The binding energies have been calculated with the help of the total energies of the structures which are formed by adatom doping. In addition, the positions which structural stabilities of the impurity atoms are established within the lattice and has the lowest binding energies, have been investigated. Doped graphene sheets differ greatly by changing the impurity atoms or by changing the location of the impurity atoms. The possible changes in the electronic properties of graphene structure due to this phenomenia have been investigated.