Investigation of Impurities and Structural Defects in Graphene, M.Sc. Thesis Sharif University of Technology ; Faez, Rahim (Supervisor)
Abstract
In this thesis the effects of impurities and different defects on electrical and magnetic properties of monolayer and bilayer graphene is investigated. Calculations are performed using density function theory. Alloying monolayer graphene with boron and nitrogen the energy gaps of 0.7 and 0.6 eV are obtained, respectively. Moreover, we show that BN is a good candidate for opening the band gap in graphene. Alloying monolayer graphene with BN the energy gap of 1.2 eV is obtained. Another way of opening band gap is to somehow break the symmetry between layers of the bilayer graphene. By alloying one layers of bilayer graphene with B, N or B-N, although the symmetry of layers is broken, each...
Cataloging briefInvestigation of Impurities and Structural Defects in Graphene, M.Sc. Thesis Sharif University of Technology ; Faez, Rahim (Supervisor)
Abstract
In this thesis the effects of impurities and different defects on electrical and magnetic properties of monolayer and bilayer graphene is investigated. Calculations are performed using density function theory. Alloying monolayer graphene with boron and nitrogen the energy gaps of 0.7 and 0.6 eV are obtained, respectively. Moreover, we show that BN is a good candidate for opening the band gap in graphene. Alloying monolayer graphene with BN the energy gap of 1.2 eV is obtained. Another way of opening band gap is to somehow break the symmetry between layers of the bilayer graphene. By alloying one layers of bilayer graphene with B, N or B-N, although the symmetry of layers is broken, each...
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