Anticancer drugs delivery and adsorption computations in pure and Stone–Wales defect armchair graphene nanoribbons

AM Khudhair, A Ben Ahmed - Optical and Quantum Electronics, 2023 - Springer
In this study, armchair graphene nanoribbons (AGNRs) and AGNRs Stone–Wales defects-
based delivery nanomaterials were developed via QuantumATK and used to deliver four …

Pure and Stone-Wales Defect Armchair Boron Nitride Graphene Nanoribbons as Anticancer Drug Delivery Vehicles: A Theoretical Investigation

AM Khudhair, A Ben Ahmed - Journal of Cluster Science, 2024 - Springer
This study's methodology employs the pristine Armchair Boron Nitride Nanoribbons
(ABNNR) and Armchair Boron Nitride Nanoribbons Stone–Wales (ABNNR-SW) defects as …

[HTML][HTML] Theoretical insights into tunable electronic properties of graphene quantum dots through ZnO doping

FN Ajeel, KH Mohsin, HG Shakier, SK Khamees… - Chemical Physics …, 2023 - Elsevier
Quantum dots are interesting systems because they can be tuned electronically. We used
graphene quantum dots (GQDs) known as the formula C 24 H 12 as a model for studying the …

The Present and Doped Bilayer Circumcoronene and Bilayer BN Circumcoronene as Carriers for Hydroxyurea Anticancer Drug Delivery

AM Khudhair, AB Ahmed - BioNanoScience, 2024 - Springer
Among the low-dimensional carbon-based systems, bilayer graphene garners great interest.
In contrast to monolayer graphene, infinite bilayer graphene displays a gap in the electronic …

[HTML][HTML] Effect of AlN dimers on the electronic properties of graphene quantum dot: DFT investigations

FN Ajeel, SK Khamees, KH Mohsin, MN Mutier - Chemical Physics Impact, 2023 - Elsevier
Tuning the electronic properties of engineered graphene quantum dots (GQDs) is used to
produce nanoelectronic devices, which are important in many applications. Chemical …

DFT study of difluoro & trifluoro bi-cyclohexane based dimer for application in electronic and optical devices

M Mishra, M Kumar, D Singh, KB Thapa… - Journal of Molecular …, 2024 - Elsevier
This investigation outlines a comprehensive analysis of the electronic and optical
characteristics of difluoro and trifluoro bi-cyclohexane-based dimers in different …

A combined experimental and theoretical investigation of perylene based dyes as sensitizer for dye-sensitized solar cell

E Kavery, G Vinodha, S Prabhu… - Russian Journal of …, 2021 - Springer
Two perylene monoanhydride (PMA) based dyes (P1 and P2) were designed, synthesized
and used as sensitizers for dye-sensitized solar cells (DSSCs) for the first time. The …

[HTML][HTML] Influence of B, Si, Ge, and As impurities on the electronic properties of graphene quantum dot: A density functional theory study

SK Khamees, FN Ajeel, KH Mohsin, MN Mutier - Nano Trends, 2024 - Elsevier
The electronic features of chemically functionalized graphene quantum dots (GQDs) are
investigated using density functional theory (DFT). The fabrication of nanoscale devices …

Theoretical Study on Electronic Properties of BN Dimers Doped Graphene Quantum dots

FN Ajeel, MN Mutier, KH Mohsin, SK Khamees… - BioNanoScience, 2024 - Springer
Using density functional theory (DFT), we investigate the structural, stability, and electronic
properties of boron nitride (BN) dimers cooped graphene quantum dots (GQDs). A molecule …

Investigating the Effects of TiO Impurities on the Electronic Properties of Graphene Nanoflakes Using DFT Method

M Kadhem, NBS Ajeel, FN Ajeel… - Sumer Journal for Pure …, 2024 - journals.sujps.com
Modifying the electronic characteristics of produced graphene allows for the creation of
nanoelectronics devices, which are essential for a wide variety of applications. Through the …