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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 …
Anticancer drugs delivery and adsorption computations in pure and Stone–Wales defect armchair graphene nanoribbons
In this study, armchair graphene nanoribbons (AGNRs) and AGNRs Stone–Wales defects-
based delivery nanomaterials were developed via QuantumATK and used to deliver four …
based delivery nanomaterials were developed via QuantumATK and used to deliver four …
A DFT investigation of lithium adsorption on graphenes as a potential anode material in lithium-ion batteries
We present a detailed study of the Li+ ion adsorption on two different hydrogenated carbon
nanostructures, namely as pristine graphene (PG) and topologic Stone-Wales defective …
nanostructures, namely as pristine graphene (PG) and topologic Stone-Wales defective …
Utilizing circumcoronene and BN circumcoronene for the delivery and adsorption of the anticancer drug floxuridine
Materials based on graphene have been increasingly exploited as drug delivery methods in
biomedicine. In this work, Circumcoronene (CC) and Boron Nitride Circumcoronene (BNCC) …
biomedicine. In this work, Circumcoronene (CC) and Boron Nitride Circumcoronene (BNCC) …
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 …
Engineering and design of simple models from dye-sensitive of solar cells and photovoltaic cells applications: Theoretical study
In this study, the optimization geometric and optoelectronic properties of new structures that
based on quater [1, 3, 4] thiadiazole and benzothiophene were calculated by using density …
based on quater [1, 3, 4] thiadiazole and benzothiophene were calculated by using density …
Up-converting ALD/MLD thin films with Yb3+, Er3+ in amorphous organic framework
Near-infrared to green and red up-conversion is reported for a new type of hybrid (Yb, Er)-IR-
806 films prepared using the atomic/molecular layer deposition (ALD/MLD) thin-film …
806 films prepared using the atomic/molecular layer deposition (ALD/MLD) thin-film …
[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 …
Optical response of sila-fulleranes in interaction with glycoproteins for environmental monitoring
In this paper, we introduce new features of silicon in fullerane structures. Silicon, when
placed in a fullerane structure, increases its electron affinity and electrophilicity index …
placed in a fullerane structure, increases its electron affinity and electrophilicity index …