Browsing QF-Artigos by Title
Now showing items 20-39 of 103
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Decoding the ECD Spectra of Poly(phenylacetylene)s: Structural Significance
(American Chemical Society, 2019-03-13)The role of the main dihedral angles in the electronic circular dichroism (ECD) spectra of poly(phenylacetylene)s (PPAs) was estimated by using time-dependent density functional theory (TD-DFT) for oligo(phenylacetylene)s ... -
Detection of degradation markers from polymer surfaces by a novel SERS-based strategy
(Elsevier, 2019)This paper provides new insights for the study of polymer degradation through the detection of markers released at the polymer surface using Al-coated SERS active substrates. Combining a nanodestructive sampling procedure ... -
Dielectric and electrical properties of annealed ZnS thin films. The appearance of the OLPT conduction mechanism in chalcogenides
(Royal Society of Chemistry, 2020)The annealing temperature (Ta) dependence of the structural, morphological, electrical and dielectric properties of ZnS thin films was investigated. In this work, we consider the as-deposited and annealed ZnS thin films ... -
Dissociation of a Strong Acid in Neat Solvents: Diffusion Is Observed after Reversible Proton Ejection Inside the Solvent Shell
(American Chemical Society, 2013)Strong-acid dissociation was studied in alcohols. Optical excitation of the cationic photoacid N-methyl-6-hydroxyquinolinium triggers proton transfer to the solvent, which was probed by spectral reconstruction of picosecond ... -
Electronic Degeneracy and Intrinsic Magnetic Properties of Epitaxial Nb : SrTiO3 Thin Films Controlled by Defects
(APS Physics, 2015)We report thermoelectric power experiments in e-doped thin films of SrTiO3 (STO) which demonstrate that the electronic band degeneracy can be lifted through defect management during growth. We show that even small amounts ... -
Enhanced Photocatalytic Activity of Semiconductor Nanocomposites Doped with Ag Nanoclusters Under UV and Visible Light
(MDPI, 2020)Emerging contaminants (ECs) represent a wide range of compounds, whose complete elimination from wastewaters by conventional methods is not always guaranteed, posing human and environmental risks. Advanced oxidation processes ... -
Entanglement and co-tunneling of two equivalent protons in hydrogen bond pairs
(AIP Publishing, 2018)A theoretical study is reported of a system of two identical symmetric hydrogen bonds, weakly coupled such that the two mobile protons can move either separately (stepwise) or together (concerted). It is modeled by two ... -
Epitaxial stabilization of pulsed laser deposited Srn+1IrnO3n+1 thin films: Entangled effect of growth dynamics and strain
(AIP Publishing, 2018)The subtle balance of electronic correlations, crystal field splitting, and spin–orbit coupling in layered Ir4+ oxides can give rise to novel electronic and magnetic phases. Experimental progress in this field relies on ... -
Equilibrium constants and protonation site for N-methylbenzenesulfonamides
(Beilstein Institute, 2011)The protonation equilibria of four substituted N-methylbenzenesulfonamides, X-MBS: X = 4-MeO (3a), 4-Me (3b), 4-Cl (3c) and 4-NO2 (3d), in aqueous sulfuric acid were studied at 25 °C by UV–vis spectroscopy. As expected, ... -
¿Es generalizable la existencia de una transición de primer orden ferromagnética-paramagnética en los materiales con magnetorresistencia colosal R2/3B1/3MnO3 (R=lantanido; B=alcalinoterreo)?
(Real Academia Galega de Ciencias, 1998)En este trabajo se examina la naturaleza de la transición de fase ferromagnética de materiales de manganeso con estructura de perovskita, de gran interés tecnológico por sus enormes variaciones de resistividad eléctrica ... -
Excited-State Proton and Charge Transfer in Protonated Amino and Methylated Derivatives of 2-(2′-Hydroxyphenyl)benzimidazole
(American Chemical Society, 2015)We studied the excited-state behavior of a family of mono- and diprotonated derivatives of 2-phenylbenzimidazole in different solvents, using steady-state and time-resolved fluorescence spectroscopy. The species investigated ... -
Exploring the properties of Ag5–TiO2 interfaces: stable surface polaron formation, UV-Vis optical response, and CO2 photoactivation
(Royal Society of Chemistry, 2020)Using a combination of first-principles modelling, X-ray absorption spectroscopy, and diffuse reflectance spectroscopy measurements, we explore the properties of Ag5-modified TiO2 surfaces. A general electron polarization ... -
Fenton and Photo-Fenton Nanocatalysts Revisited from the Perspective of Life Cycle Assessment
(MDPI, 2020)This study provides an overview of the environmental impacts associated with the production of different magnetic nanoparticles (NPs) based on magnetite (Fe3O4), with a potential use as heterogeneous Fenton or photo-Fenton ... -
Ferroelectric Domain Walls in PbTiO3 Are Effective Regulators of Heat Flow at Room Temperature
(American Chemical Society, 2019)Achieving efficient spatial modulation of phonon transmission is an essential step on the path to phononic circuits using “phonon currents”. With their intrinsic and reconfigurable interfaces, domain walls (DWs), ferroelectrics ... -
Fluorescence Emission of Pyrene in Surfactant Solutions
(Elsevier, 2015)The systematic description of the complex photophysical behavior of pyrene in surfactant solutions in combination with a quantitative model for the surfactant concentrations reproduces with high accuracy the steady-state ... -
Fluorescence of methylated derivatives of hydroxyphenylimidazopyridine. Resolution of strongly overlapping spectra and a new ESIPT dye showing very efficient radiationless deactivation
(Royal Society of Chemistry, 2011)The ground- and excited-state behaviour of the isomeric species 2-(2′-methoxyphenyl)imidazo[4,5-b]pyridine (1-OMe) and 2-(2′-hydroxyphenyl)-4-methylimidazo[4,5-b]pyridine (1-NMe) in neutral and acid media has been studied ... -
Fluorescence quenching of the N-methylquinolinium cation by pairs of water or alcohol molecules
(2018)N-Methylquinolinium cation (MQ+) in its first-excited singlet state is a strong oxidant commonly used as a photosensitizer, whose fluorescence is therefore quenched by electron donors. Interestingly, the fluorescence of ... -
Fluorescence-Labeled Bis-benzamidines as Fluorogenic DNA Minor-Groove Binders: Photophysics and Binding Dynamics
(WILEY-VCH Verlag GmbH, 2014-11-21)In recent decades there has been great interest in the design of highly sensitive sequence-specific DNA binders. The eligibility of the binder depends on the magnitude of the fluorescence increase upon binding, related to ... -
From Oligo(Phenyleneethynylene) Monomers to Supramolecular Helices: The Role of Intermolecular Interactions in Aggregation
(MDPI, 2021)Supramolecular helices that arise from the self-assembly of small organic molecules via non-covalent interactions play an important role in the structure and properties of the corresponding materials. Here we study the ... -
A Global View on Block Copolymers
(MDPI, 2020)In this systematic review, a total of 45,143 publications on block copolymers, issued between 1952 and 2019, are analyzed in terms of number, source, language, institution, country, keywords, and block copolymer type, to ...