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[HTML][HTML] Enhancement the electronic and optical properties of the graphene nanoflakes in the present S impurities
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 …
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 …
boron, nitrogen and oxygen. The differences in the electronic properties of the pristine GNFs …
Theoretical (DFT and TDDFT) insights into the effect of polycyclic aromatic hydrocarbons on Monascus pigments and its implication as a photosensitizer for dye …
Monascus pigments (MPs) as natural food pigments which have been extensively used in
food industries, specifically in China, Japan, and other countries of southeastern Asian. The …
food industries, specifically in China, Japan, and other countries of southeastern Asian. The …
[HTML][HTML] Enhancement the electronic and optical properties of the T-Graphene nanosheet in the present various impurities: DFT study
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 …
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
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 …
FU, 6-MP, GB, and CP) in the human body. The electronic properties of the anticancer …
Novel azo dye based on 1, 3, 4-thiadiazole: synthesis, characterization linked to application as dye-sensitized solar cells and antioxidant
: In this work, the important features, electrochemical, optical and thermal stability as
antioxidant, of four new donor-acceptor–π–acceptor-donor architecture, antioxidant dyes …
antioxidant, of four new donor-acceptor–π–acceptor-donor architecture, antioxidant dyes …
First-principles study on the physical properties for various anticancer drugs using density functional theory (DFT)
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 …
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 …
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
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 …
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
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 …
FU, 6-MP, GB, and CP) in the human body. The electronic properties of the anticancer …