Artículos SCI
2019
2019
Reactividad de Sólidos
A QTAIM and DFT study of the dizinc bond in non-symmetric [CpZn2Ln] complexes
Ayala, R; Galindo, AJournal of Organometallic Chemistry, 898 (2019) UNSP 120878
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Several [Zn2L2] and [CpZn2Ln] dizinc compounds have been studied by density functional theory (DFT) and quantum theory of atoms in molecules (QTAIM) in order to compare the nature and topology of the Zn-Zn bond in symmetrical and non-symmetrical complexes. The stability of these complexes have been evaluated on the basis of the formation energies. The disproportionation reaction has also been analysed indicating that symmetric complexes are less stable than non-symmetric ones. To certain extent, the properties of the [CpZn2Ln] complexes are between those of the [Zn2L2] and [Zn2Cp2] compounds. The asymmetry of the [CpZn2Ln] compounds is illustrated in terms of the topological properties, especially in the Source Function (SF) and Natural Bond Orbital (NBO) analysis.
Octubre, 2019 | DOI: 10.1016/j.jorganchem.2019.120878
Reactividad de Sólidos
Influence of pre-deformation on the precipitation hardening in Cu-Ni-Si alloy
Donoso, E; Dianez, MJ; Criado, JMRevista de Metalurgia, 55 (2019) e157
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The effects of pre-deformation on the precipitation processes in a Cu-2.8 Ni-1.4 Si (at.%) alloy were studied using differential scanning calorimetric (DSC), transmission electron microscopy (TEM) and microhardness measurements. The calorimetric curves shows the presence of one exothermic reaction attributed to the formation of delta-Ni2Si precipitates in the copper matrix that was confirmed by TEM. In addition it can be observed that the temperature of the maximum of the DSC peak decreases with the increase of the pre-deformation to the aging treatments. The activation energies calculated for the precipitation of by the Kissinger method, were similar to those calculated by an Arrhenius function, from the maximum hardening of the matrix due to aging treatments (saturation of the hardness during isothermal aging). The analysis of the microhardness measurements together with the calorimetric curves and the TEM micrographs confirm, on the one hand, that the formation of the delta-Ni2Si phase, during the aging treatments, are responsible for the hardening of the copper matrix, and on the other hand that the deformation prior to the aging treatment partially inhibits the formation of the precipitates.
Octubre, 2019 | DOI: 10.3989/revmetalm.157
Materiales Ópticos Multifuncionales
Spatially Resolved Analysis of Defect Annihilation and Recovery Dynamics in Metal Halide Perovskite Single Crystals
Galisteo-Lopez, JF; Calvo, ME; Miguez, HACS Applied Energy Materials, 2 (2019) 6967-6972
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The spectacular advances in efficiency of optoelectronic devices based on lead-halide perovskites have been accompanied by detailed structural and optical studies regarding the instability presented by these materials, which constitute their main bottleneck for commercialization. Following a pump and probe scheme in a laser scanning confocal microscope, we resolve the photoinduced emission activation/deactivation dynamics in CH3NH3PbBr3 single crystals with millisecond and sub-micrometer resolution. This is complemented with a study of spectral variations and interpreted in the framework of light-induced ion migration and associated defect passivation. Our results point to the presence of photoinduced structural changes accompanying the migration of ions.
Octubre, 2019 | DOI: 10.1021/acsaem.9b01335
Nanotecnología en Superficies y Plasma
Sodium ion storage performance of magnetron sputtered WO3 thin films
Garcia-Garcia, FJ; Mosa, J; Gonzalez-Elipe, AR; Aparicio, MElectrochimica Acta, 321 (2019) 134669
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WO3 thin film electrodes were successfully prepared by magnetron sputtering (MS) deposition under an oblique angle configuration (OAD). Intercalation of Na ions in the tungsten oxide layers has been studied using electrochemical techniques. Sample characterization before and after sodium intercalation has been carried out by Raman, XPS and XRD measurements. ToF-SIMS analysis has been also performed in order to analyze the element depth profiles along the electrode thickness. Electron microscopy evaluation of the cross section confirms the porous structure of the coatings. Batteries integrating these WO3 electrodes have a discharge capacity of 120 mA h g(-1) at the initial cycles and show an adequate capacity retention upon 300 cycles. The WO3-OAD thin-films are proposed as promising electrodes for Na-ion batteries.
Octubre, 2019 | DOI: 10.1016/j.electacta.2019.134669
Materiales Coloidales - Materiales Ópticos Multifuncionales
Synthesis, functionalization and properties of uniform europium-doped sodium lanthanum tungstate and molybdate (NaLa(XO4)(2), X = Mo,W) probes for luminescent and X-ray computed tomography bioimaging
Laguna, M; Nunez, NO; Becerro, AI; Lozano, G; Moros, M; de la Fuente, JM; Corral, A; Balcerzyk, M; Ocana, MJournal of Colloid and Interface Science, 554 (2019) 520-530
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A one-pot simple procedure for the synthesis of uniform, ellipsoidal Eu3+-doped sodium lanthanum tungstate and molybdate (NaLa(XO4)(2), X = W, Mo) nanophosphors, functionalized with carboxylate groups, is described. The method is based on a homogeneous precipitation process at 120 degrees C from appropriate Na+ Ln(3+) and tungstate or molybdate precursors dissolved in ethylene glycol/water mixtures containing poly acrylic acid. A comparative study of the luminescent properties of both luminescent materials as a function of the Eu3+ doping level has been performed to find the optimum nanophosphor, whose efficiency as X-ray computed tomography contrast agent is also evaluated and compared with that of a commercial probe. Finally, the cell viability and colloidal stability in physiological pH medium of the optimum samples have also been studied to assess their suitability for biomedical applications.
Octubre, 2019 | DOI: 10.1016/j.jcis.2019.07.031
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