[HTML][HTML] Enhancement the electronic and optical properties of the graphene nanoflakes in the present S impurities

AM Khudhair, MH Mohammed, FN Ajeel… - Chemical Physics …, 2023 - Elsevier
Electronic and optical properties of the graphene nanoflakes (GNFs) are investigated with
and without various concentrations of S impurities in different locations via a time-dependent …

Tuning the band gap in graphene nanoflakes via various impurities

TA Omeer, MH Mohammed - Nano-Structures & Nano-Objects, 2023 - Elsevier
The electronic properties of GNFs are controlled by utilizing different impurities, such as
boron, nitrogen and oxygen. The differences in the electronic properties of the pristine GNFs …

[HTML][HTML] Enhancement the electronic and optical properties of the T-Graphene nanosheet in the present various impurities: DFT study

TA Omeer, MH Mohammed, BA Jarullah… - Chemical Physics …, 2023 - Elsevier
The electronic properties of the T-Greaphene nanosheet (T-GNS) are developed by using
different concentrations of the Al and Si impurities. The results demonstrated the electronic …

Application of zinc oxide nanosheet in various anticancer drugs delivery: quantum chemical study

MH Mohammed, FH Hanoon - Inorganic Chemistry Communications, 2021 - Elsevier
Zinc oxide nanosheet (ZnONS) is a promising road to deliver numerous anticancer drugs (5-
FU, 6-MP, GB, and CP) in the human body. The electronic properties of the anticancer …

First-principles study on the physical properties for various anticancer drugs using density functional theory (DFT)

MH Mohammed, FH Hanoon - Solid State Communications, 2021 - Elsevier
We theoretically investigated the electronic and optical properties of the various anticancer
drugs (5-FU, 6-MP, CP, and GB) by using density functional theory (DFT) and time …

[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 …

Enhancement the electronic and optical properties for the dye Disperse Orange 13 and using in the solar cell device

AM Khudhair, KH Bardan, AJ Almusawe… - IOP Conference Series …, 2020 - iopscience.iop.org
Abstract Disperse Orange 13 (DO13) is from the Azo dye group, its double azo class. It has a
good photo-thermal stability dissolvability and easy preparation so that can be used in …

Zinc oxide nanosheet as a career to various anticancer drugs delivery by utilizing DFT method

MH Mohammed, FH Hanoon - Chinese Journal of Physics, 2022 - Elsevier
Zinc oxide nanosheet (ZnONS) is a promising road to deliver numerous anticancer drugs (5-
FU, 6-MP, GB, and CP) in the human body. The electronic properties of the anticancer …