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Toward Understanding the Photocatalytic Activity of PbMoO4 Powders with Predominant (111), (100), (011), and (110) Facets. A Combined Experimental and Theoretical Study
(American Chemical Society, 2013)
A complementary combination of experimental work and first-principle calculations, based on the density functional theory (DFT) method, has been used to increase our limited understanding of the enhanced photocatalytic ...
Performance of the linear ion trap Orbitrap mass analyzer for qualitative and quantitative analysis of drugs of abuse and relevant metabolites in sewage water
(Elsevier, 2013-03-20)
This work illustrates the potential of liquid chromatography coupled to a hybrid linear ion trap Fourier Transform Orbitrap mass spectrometer for the simultaneous identification and quantification of 24 drugs of abuse and ...
A novel ozone gas sensor based on one-dimensional (1D) α-Ag2WO4 nanostructures
(Royal Society of Chemistry, 2014-01)
This paper reports on a new ozone gas sensor based on α-Ag2WO4 nanorod-like structures. Electrical resistance measurements proved the efficiency of α-Ag2WO4 nanorods, which rendered good sensitivity even for a low ozone ...
A simple variational quantum Monte Carlo-effective mass approach for excitons and trions in quantum dots
(Elsevier, 2021)
A computational model is presented to calculate the ground state energy
of neutral and charged excitons confined in semiconductor quantum dots.
The model is based on the variational Quantum Monte Carlo method and
effective ...
Selective Synthesis of α-, β-, and γ-Ag2WO4 Polymorphs: Promising Platforms for Photocatalytic and Antibacterial Materials
(American Chemical Society, 2021-01-18)
Silver tungstate (Ag2WO4) shows structural polymorphism with different crystalline phases, namely, orthorhombic, hexagonal, and cubic structures that are commonly known as α, β, and γ, respectively. In this work, these ...
Monitoring psychoactive substance use at six European festivals through wastewater and pooled urine analysis
(Elsevier, 2020-07-10)
The consumption of psychoactive substances is considered a growing problem in many communities. Moreover, new psychoactive substances (NPS) designed as (legal) substitutes to traditional illicit drugs are relatively easily ...
Coulomb interaction signatures in self-assembled lateral quantum dot molecules
(American Physical Society, 2013)
We use photoluminescence spectroscopy to investigate the ground state of single self-assembled InGaAs lateral
quantum dot molecules. We apply a voltage along the growth direction that allows us to control the total ...
Two-Photon Induced Blue Shift of Core and Shell Optical Transitions in Colloidal CdSe/CdS quasi-type II Quantum Rods
(American Chemical Society, 2013-03)
The spectral dependence of the two-photon absorption in CdSe/CdS core/shell nanocrystal heterorods has been studied via two-photon-induced luminescence excitation spectroscopy. We verified that the two-photon absorption ...
Exploring the Origin of Amidase Substrate Promiscuity in CALB by a Computational Approach
(American Chemical Society, 2020)
Enzyme promiscuity attracts the interest of the industrial and academic sectors because of its application in the design of biocatalysts. The amidase activity of Candida antarctica lipase B (CALB) on two different substrates ...
Toward an Understanding of the Hydrogenation Reaction of MO2 Gas-Phase Clusters (M = Ti, Zr, and Hf)
(American Chemical Society, 2013)
A theoretical investigation using density functional theory (DFT) has been carried out in order to understand the molecular mechanism of dihydrogen activation by means of transition metal dioxides MO2 (M = Ti, Zr, and Hf) ...