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 …
Abstract 2D carbon nanomaterial graphene has been the subject of intense research on optoelectronic properties. Advancements in graphene-based optoelectronic devices can …
Zigzag and armchair graphene nanoribbons (ZGNR and AGNR) have been investigated using the density functional theory (DFT) and nonequilibrium Green's function (NEGF) …
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 …
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 …