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Experimental and theoretical study of the energetic, morphological, and photoluminescence properties of CaZrO3:Eu3+
(Royal Society of Chemistry, 2018)
In this study, we present a combined experimental and theoretical study of the geometry, electronic structure, morphology, and photoluminescence properties of CaZrO3:Eu3+ materials. The polymeric precursor method was ...
alpha-Ag2-2xZnxWO4 (0 <= x <= 0.25) Solid Solutions: Structure, Morphology, and Optical Properties
(American Chemical Society, 2017-06)
A theoretical study was elaborated to support the experimental results of the Zn-doped α-Ag2WO4. Theses α-Ag2–2xZnxWO4 (0 ≤ x ≤ 0.25) solid solutions were obtained by coprecipitation method. X-ray diffraction data indicated ...
Structure, Photoluminescence Emissions, and Photocatalytic Activity of Ag2SeO3: A Joint Experimental and Theoretical Investigation
(American Chemical Society, 2021-04-19)
In this paper, we report the synthesis of silver
selenite (Ag2SeO3) by different methods [sonochemistry, ultrasonic probe, coprecipitation, and microwave-assisted hydrothermal
methods]. These microcrystals presented a ...
Mechanism of photoluminescence in intrinsically disordered CaZrO3 crystals: First principles modeling of the excited electronic states
(Elsevier, 2017-10)
CaZrO3 (CZO) powders obtained by the polymeric precursor method at 400 °C, and then, the samples were annealed at different temperatures (400, 600, 800, and 1000 °C) and characterized by X-ray diffraction, Raman and ...
Unveiling the Ag-Bi miscibility at the atomic level: A theoretical insight
(Elsevier, 2021-06-03)
Alloying metals that are not miscible at the solid bulk phase attracted great interest in the scientific community due to their distinctive electronic, optical, catalytic, and magnetic properties compared to pure metals. ...
Experimental and theoretical study to explain the morphology of CaMoO4 crystals
(Elsevier, 2018-03)
CaMoO4 crystals were prepared by a controlled co-precipitation method and processed in a domestic microwave-assisted hydrothermal system with two different surfactants (ethyl 4-dimethylaminobenzoate and 1,2,4,5-benzenete ...
The embodiment of wastewater data for the estimation of illicit drug consumption in Spain
(Elsevier, 2021)
Data obtained from wastewater analysis can provide rapid and complementary insights in illicit drug
consumption at community level. Within Europe, Spain is an important country of transit of both cocaine and cannabis. The ...
Discovery of a Histidine‐Based Scaffold as an Inhibitor of Gut Microbial Choline Trimethylamine‐Lyase
(Wiley, 2020-08-22)
Anaerobic choline metabolism by human gut microbiota to produce trimethylamine (TMA) has recently evolved as a potential therapeutic target because of its association with chronic kidney disease and increased cardiovascular ...
Superior performance of macroporous over gel type polystyrene as a support for the development of photo-bactericidal materials
(Royal Society of Chemistry, 2017-07)
A hexanuclear molybdenum cluster [Mo6I8Ac6]2− (1) has been ionically bound onto macroporous (Pmp) and gel-type (Pgel) resins and their performance as materials for the photodynamic inactivation of microorganisms has been ...
Theoretical Study of the Phosphoryl Transfer Reaction from ATP to Dha Catalyzed by DhaK from Escherichia coli
(American Chemical Society, 2017-09)
Protein kinases, representing one of the largest protein families involved in almost all aspects of cell life, have become one of the most important targets for the development of new drugs to be used in, for instance, ...