Role of twist in modulating the electronic and thermoelectric properties of zigzag graphene nanoribbons

R Farghadan - Physical Review B, 2024 - APS
We investigate the electronic structure and Seebeck coefficient (SC) of twisted zigzag
graphene nanoribbons (TZGNRs) with translational symmetry, considering electron-electron …

A computational insight into the intrinsic, Si-decorated and vacancy-defected γ-graphyne nanoribbon towards adsorption of CO2 and O2 molecules

M Golzani, M Poliki, M Golzani, A Tadjarodi - Applied Surface Science, 2023 - Elsevier
In this study, the effects of decorating a silicon (Si) atom and applying a single vacancy
defect on an armchair γ-graphyne nanoribbon (A-γ-GyNR) are investigated toward CO 2 and …

Optoelectronic properties of various structures of 2D carbon nanomaterial graphene: A review

S Tripathi, PS Khare - Journal of Optics, 2024 - Springer
Abstract 2D carbon nanomaterial graphene has been the subject of intense research on
optoelectronic properties. Advancements in graphene-based optoelectronic devices can …

First-principles investigation of F-functionalized ZGNR/AGNR for nanoscale interconnect applications

M Jatkar, KK Jha, SK Patra - Journal of Computational Electronics, 2021 - Springer
Zigzag and armchair graphene nanoribbons (ZGNR and AGNR) have been investigated
using the density functional theory (DFT) and nonequilibrium Green's function (NEGF) …

γ-Graphyne rectifier and NDR tunable by doping, line edge roughness and twist

M Golzani, M Poliki, S Haji-Nasiri - Computational Materials Science, 2021 - Elsevier
The armchair γ-graphyne nanoribbon (A-γ-GyNR) based on doping boron and nitrogen
atoms in left and right leads, respectively, was proposed as the initial sample of a rectifier …

First-principles study of optical properties of armchair graphene nanoribbons with divacancy defect

YL Song, DB Lu, XY Huang, YJ Yang - 2022 - researchsquare.com
Using first-principles calculations based on density functional theory, we systematically
studied the electronic structures and optical properties of armchair graphene nanoribbons …