Listar QFA_Articles por título
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Strain in Lattice-Mismatched CdSe-Based Core/Shell Nanoplatelets
American Chemical Society (2019-08-05)We investigate the role of stress arising between core and shell materials in colloidal CdSe/X hetero-nanoplatelets (X = ZnS, CdS, CdTe). The resulting strain distribution is calculated within the linear elastic regime and ... -
Strategies to Characterize Polar Organic Contamination in Wastewater: Exploring the Capability of High Resolution Mass Spectrometry
ACS (2014)Wastewater effluents contain a multitude of organic contaminants and transformation products, which cannot be captured by target analysis alone. High accuracy, high resolution mass spectrometric data were explored with ... -
Strong configuration mixing due to dielectric confinement in semiconductor nanorods
American Physical Society (2009)The interaction between electron-electron and electron-hole pairs in semiconductor nanorods embedded in dielectric media is investigated using a configuration-interaction method. Contrary to spherical quantum dots of similar ... -
Structural and electronic analysis of the atomic scale nucleation of Ag on α-Ag2WO4 induced by electron irradiation
Nature Publishing Group (2014-06)In this work, we utilise a combination of theory, computation and experiments to understand the early events related to the nucleation of Ag filaments on α-Ag2WO4 crystals, which is driven by an accelerated electron beam ... -
Structural and Electronic Effects of Incorporating Mn in TiO2 Films Grown by Sputtering: Anatase versus Rutile
American Chemical Society (2012)Pure and Mn-doped TiO 2 films have been deposited by sputtering technique onto SiO 2 substrates. The films display a compact columnar morphology, as revealed by scanning electron microscopy. X-ray diffraction and Raman ... -
Structural and electronic properties of lithiated SnO2. A periodic DFT study
American Chemical Society (2012)The structural and electronic properties of the intercalation compound LixSnO2 (x = 1/16, 1/8, 1/4, 1/2, 1) as well as the inherent diffusion mechanism of Li ion into the rutile SnO2 were investigated by means of periodic ... -
Structural and optical properties of CaTiO3 perovskite-based materials obtained by microwave-assisted hydrothermal synthesis: An experimental and theoretical insight
Elsevier (2009)CaTiO3 powders were synthesized using both a polymeric precursor method (CTref) and a microwave-assisted hydrothermal (CTHTMW) method in order to compare the chemical and physical properties of the perovskite-based material ... -
Structural and optical properties of ZnS/MgNb2O6 heterostructures
Elsevier (2015-03)In this letter, we report a simple and efficient synthetic procedure where the first step is a coprecipitation/calcination method used to obtain magnesium niobate MgNb2O6(MN) nanocrystals and in the second stage a microwave ... -
Structural and vibrational study of cubic Sb2O3 under high pressure
American Physical Society (2012) -
Structural investigation and sonophotocatalytic properties of the solid solutions Sr(Mo1−xWx)O4 crystals synthesized by the sonochemical method
Springer (2022-09-18)In this paper, the solid solutions of strontium molybdate-tungstate [Sr(Mo1−xWx)O4] crystals with (x = 0, 0.25, 0.50, 0.75, and 1) were synthesized by the sonochemical method. Their structure, morphology, optical, and ... -
Structural properties and self-activated photoluminescence emissions in hydroxyapatite with distinct particle shapes
Elsevier (2018-01)The understanding on defect-related photoluminescence (PL) properties of hydroxyapatite (HA) particles has a fundamental importance in the technological field for the development of new non-toxic biomedical and optical ... -
Structural refinement, growth mechanism, infrared/Raman spectroscopies and photoluminescence properties of PbMoO4 crystals
Elsevier (2013)Lead molybdate (PbMoO4) crystals were synthesized by the co-precipitation method at room temperature and then processed in a conventional hydrothermal (CH) system at low temperature (70 °C for different times). These ... -
Structural study of α-Bi2O3 under pressure
IOP Publishing (2013)An experimental and theoretical study of the structural properties of monoclinic bismuth oxide (α-Bi2O3) under high pressures is here reported. Both synthetic and mineral bismite powder samples have been compressed up to ... -
Structure, electronic properties, morphology evolution, and photocatalytic activity in PbMoO4 and Pb12xCaxSrxMoO4 (x = 0.1, 0.2, 0.3, 0.4 and 0.5) solid solutions
Royal Society of Chemistry (2020)In this work PbMoO4 and Pb12xCaxSrxMoO4 (x = 0.1, 0.2, 0.3, 0.4 and 0.5) solid solutions have been successfully prepared, for the first time, by a simple co-precipitation method and the as-synthesized samples were subjected ... -
Structure, morphology and photoluminescence emissions of ZnMoO4: RE 3+=Tb3+ - Tm3+ - X Eu3+ (x = 1, 1.5, 2, 2.5 and 3 mol%) particles obtained by the sonochemical method
Elsevier (2018-06)ZnMoO4 and ZnMoO4: RE3+ = 1% Tb3+, 1% Tm3+, x Eu3+ (x = 1, 1.5, 2, 2.5 and 3 mol%) particles were prepared by a sonochemical method. The influence of the dopant content on photoluminescent behavior was investigated. The ... -
Structure, optical properties, and photocatalytic activity of α-Ag2W0.75Mo0.25O4
Elsevier (2020-07-23)This article describes the synthesis of α-Ag2W0.75Mo0.25O4 using a coprecipitation method followed by microwave irradiation for different times. The samples were characterized using X-ray and neutron diffractions with ... -
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 ... -
Studies on the Reactivity of the Aminophosphino [W 3 S 4 Br 3 (edpp ) 3 ] + (edpp= (2 - aminoethyl) diphenylphosphine) Cluster Cation towards Bases Reveal ing a Non - Passive Role of the Amino Group
Wiley (2017-11-24)Detailed studies using stopped-flow, 31 P{ 1 H} NMR, a nd ESI - MS have been carried on the reaction of the [W 3 S 4 Br 3 (edpp) 3 ] + (edpp = ( 2 - aminoethyl)diphenylphosphine ) ... -
Study of biological properties of gold nanoparticles: Low toxicity, no proliferative activity, no ability to induce cell gene expression and no antiviral activity
Elsevier (2023-07-26)Gold nanoparticles (AuNPs) are a fundamental building block of many applications across nanotechnology as they have excellent biosafety which make them promising for a broad range of biomedical applications. Here we explore ... -
Studying the role of protein dynamics in an SN2 enzyme reaction using free-energy surfaces and solvent coordinates
Nature Publishing Group (2013)Conformational changes drive the protein through the catalytic cycle allowing, for example, substrate binding or product release. However, the impact of protein motions in the chemical step is a very controversial issue. ...