Electronic properties of Li-doped zigzag graphene nanoribbons

Narin, P.; Kutlu, E.; Sarikavak‐Lisesivdin, B.; Li̇şesi̇vdi̇n, S. B.; Özbay, E.

doi:10.1016/j.physe.2016.06.018

Cited by 12 publications

(1 citation statement)

References 47 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Graphene nanoribbons (GNR) are the one-dimensional (1D) materials obtained from the graphene and have been appealed in great amount regards in the fields of materials science and physics [1,10]. According to the feature of edge, the GNRs are divided into zigzag edge graphene nanoribbons (ZGNRs) and armchair edge graphene nanoribbons (AGNRs) [11][12][13]. The GNRs have been studied theoretically and experimentally because of their unique electronic structures and transport properties [14].…”

Section: Introductionmentioning

confidence: 99%

Ab initio study of electronic properties of armchair graphene nanoribbons passivated with heavy metal elements

Narin

Abbas

Atmaca

et al. 2019

Solid State Communications

Self Cite

View full text Add to dashboard Cite

In this study, electronic properties of graphene nanoribbons with armchair edges (AGNRs) have been investigated with Density Functional Theory (DFT). Effects of heavy metal (HM) elements, including Zinc (Zn), Cadmium (Cd) and Mercury (Hg) atoms on electronic behavior of AGNRs have been calculated by passivating for both one and two edges of AGNRs in detail. To explain the electronic behavior of investigated AGNRs, the electronic band structure, the density of states (DOS), total energy have been calculated. Energetically favorable structures have been determined using calculated binding energy values. The obtained bandgap values of investigated structures changes between 0.30 and 0.64 eV. Increasing atomic number of passivation atoms have led to an increment in the bandgap of AGNRs.

show abstract