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Simple correlated wave-function for excitons in 0D, quasi-1D and quasi-2D quantum dots
(Springer Berlin Heidelberg, 2017-07)
We propose correlated yet extremely simple single-parameter-dependent wave-function with a Slater-type correlation factor, to describe excitons in 0D, quasi-1D and quasi-2D semiconductor quantum dots. We provide closed-form ...
Designing biocompatible and multicolorfluorescent hydroxyapatitenanoparticles for cell-imaging applications
(Elsevier, 2019)
In recent years, there has been a growing effort toward the synthesis, engineering and property tuning of biocompatible nanoparticles (NPs) that can be detected by confocal microscopy and then used as fluorescent probes. ...
Connecting structural, optical, and electronic properties and photocatalytic activity of Ag3PO4:Mo complemented by DFT calculations
(Elsevier, 2018-12-15)
The present join experimental and theoretical work provides in-depth understanding on the relationship among structural, optical, and electronic properties and photocatalytic activity of Ag3PO4:Mo microcrystals. We prepared ...
Cuboidal Mo3S4 Clusters as a Platform for Exploring Catalysis: A Three-Center Sulfur Mechanism for Alkyne Semihydrogenation
(American Chemical Society, 2018-08-03)
We report a trinuclear Mo3S4 diamino cluster that promotes the semihydrogenation of alkynes. Based on experimental and computational results, we propose an unprecedented mechanism in which only the three bridging sulfurs ...
Toward an Understanding of the Growth of Ag Filaments on a-.Ag2WO4 and Their Photoluminescent Properties: A Combined Experimental and Theoretical Study
(American Chemical Society, 2013-12)
A combined experimental and theoretical study was conducted on the structure and electronic properties of α-Ag2WO4 to clarify the nucleation and growth processes of Ag filaments on α-Ag2WO4 crystals induced by electron ...
Binding Analysis of Some Classical Acetylcholinesterase Inhibitors: Insights for a Rational Design Using Free Energy Perturbation Method Calculations with QM/MM MD Simulations
(American Chemical Society, 2017-04)
In the present study, the binding free energy of some classical inhibitors (DMT, DNP, GNT, HUP, THA) with acetylcholinesterase (AChE) is calculated by means of the free energy perturbation (FEP) method based on hybrid ...
Insight into Copper-Based Catalysts: Microwave-Assisted Morphosynthesis, In Situ Reduction Studies, and Dehydrogenation of Ethanol
(Wiley, 2011)
Copper-based catalysts obtained by microwave-assisted morphosynthesis were correlated with the dehydrogenation of ethanol. The degree of reduction was monitored using time-resolved in situ XANES during TPR under H2. A ...
Laser-induced formation of bismuth nanoparticles
(Royal Society of Chemistry, 2018)
In the current communication, the synthesis of metallic Bi nanoparticles
with coexisting crystallographic structures (rhombohedral,
monoclinic, and cubic) obtained via direct femtosecond laser irradiation
of NaBiO3 is ...
Chloride-Induced Thickness Control in CdSe Nanoplatelets
(ACS Publications, 2018)
Current colloidal synthesis methods for CdSe
nanoplatelets (NPLs) routinely yield samples that emit, in
discrete steps, from 460 to 550 nm. A significant challenge lies
with obtaining thicker NPLs, to further widen the ...
Detection of Methyl Orange in Saffron and Other Edibles Using Direct Injection Micellar Liquid Chromatography
(Springer, 2017-01)
A simple, sensitive, rapid and eco friendly micellar
liquid chromatographic method was developed for the detec-
tion of banned color methyl orange in counterfeit saffron and
prepared foodstuffs. Methyl orange ...