Scientific Papers in SCI
2022
2022
Materiales para Bioingeniería y Regeneración Tisular
Sol-Gel Synthesis of Endodontic Cements: Post-Synthesis Treatment to Improve Setting Performance and Bioactivity
Song, X; Diaz-Cuenca, AMaterials, 15 (2022) 6051
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The sol-gel process is a wet chemical technique that allows very fine control of the composition, microstructure, and final textural properties of materials, and has great potential for the synthesis of endodontic cements with improved properties. In this work, the influence of different sol-gel synthesis variables on the preparation of endodontic cement based on calcium silicate with Ca/Si stoichiometry equal to 3 was studied. Starting from the most optimal hydraulic composition selected, a novel second post-synthesis treatment using ethanol was essayed. The effects of the tested variables were analyzed by X-ray diffraction, infrared spectroscopy, scanning electron microscopy, nitrogen physisorption, and Gillmore needles to determine the setting time and simulated body fluid (SBF) immersion to measure the bioactive response in vitro. The results indicated that the sol-gel technique is effective in obtaining bioactive endodontic cements (BECs) with high content of the hydraulic compound tricalcium silicate (C3S) in its triclinic polymorph. The implementation of a novel post-synthesis treatment at room temperature using ethanol allows obtaining a final BEC product with a finer particle size and a higher CaCO3 content, which results in an improved material in terms of setting time and bioactive response.
September, 2022 | DOI: 10.3390/ma15176051
Tribología y Protección de Superficies
Influence of the carbon incorporation on the mechanical properties of TiB2 thin films prepared by HiPIMS
Sala, N; Abad, MD; Sanchez-Lopez, JC; Crugeira, F; Ramos-Masana, A; Colominas, CInternational Journal of Refractory Metals & Hard Materials, 107 (2022) 105884
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Nanostructured TiB2 and TiBC thin films with carbon contents up to 11 at. % were prepared by physical vapor deposition using high power impulse magnetron sputtering (HiPIMS) technology. The influence of carbon incorporation during the deposition of TiB2 coatings was investigated on the chemical composition, microstructure and mechanical properties by means of scanning electron microscopy, atomic force microscopy, x-ray photoelectron spectroscopy (XPS), x-ray diffraction (XRD), nanoindentation, scratch test, calotest and adhesion Daimler-Benz test. The results indicated that small additions of carbon up to 3 at. % improved the mechanical behavior and increased the adhesion of the TiB2 thin films. Hardnesses up to 37 GPa were reached and the adhesion of the coating to AISI D2 steel substrates increased from 11 to 18 N. XRD and XPS results showed that the carbon atoms are either occupying interstitial sites within the hexagonal structure of the TiB2 or forming bonds with titanium and boron atoms. The preferred orientation of the films determined by XRD also changed with the increasing carbon content in the (001) crystalline plane.
September, 2022 | DOI: 10.1016/j.ijrmhm.2022.105884
Nanotecnología en Superficies y Plasma
Multiscale Kinetic Monte Carlo Simulation of Self-Organized Growth of GaN/AlN Quantum Dots
Budagosky, JA; García-Cristobal, ANanomaterials, 12 (2022) 3052
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A three-dimensional kinetic Monte Carlo methodology is developed to study the strained epitaxial growth of wurtzite GaN/AlN quantum dots. It describes the kinetics of effective GaN adatoms on an hexagonal lattice. The elastic strain energy is evaluated by a purposely devised procedure: first, we take advantage of the fact that the deformation in a lattice-mismatched heterostructure is equivalent to that obtained by assuming that one of the regions of the system is subjected to a properly chosen uniform stress (Eshelby inclusion concept), and then the strain is obtained by applying the Green's function method. The standard Monte Carlo method has been modified to implement a multiscale algorithm that allows the isolated adatoms to perform long diffusion jumps. With these state-of-the art modifications, it is possible to perform efficiently simulations over large areas and long elapsed times. We have taylored the model to the conditions of molecular beam epitaxy under N-rich conditions. The corresponding simulations reproduce the different stages of the Stranski-Krastanov transition, showing quantitative agreement with the experimental findings concerning the critical deposition, and island size and density. The influence of growth parameters, such as the relative fluxes of Ga and N and the substrate temperature, is also studied and found to be consistent with the experimental observations. In addition, the growth of stacked layers of quantum dots is also simulated and the conditions for their vertical alignment and homogenization are illustrated. In summary, the developed methodology allows one to reproduce the main features of the self-organized quantum dot growth and to understand the microscopic mechanisms at play.
September, 2022 | DOI: 10.3390/nano12173052
Nanotecnología en Superficies y Plasma
Optimization of anion exchange membrane water electrolyzers using ionomer-free electrodes
Lopez-Fernandez, E; Gomez-Sacedon, C; Gil-Rostra, J; Espinos, JP; Brey, JJ; Gonzalez-Elipe, AR; de Lucas-Consuegra, A.; Yubero, FRenewable Energy, 197 (2022) 1183-1191
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![](https://icms.us-csic.es/sites/icms.us-csic.es/files/1-s2_359.png)
This work is carried out in the context of the anion exchange membrane water electrolysis (AEMWE) and pursuits to determine the influence of different cell components on the global electrochemical performance. Ionomer-free electrodes consisting of anodic Ni-Fe and cathodic Ni electrocatalysts deposited by magnetron sputtering in an oblique angle deposition configuration were utilized for this study. In addition to the characteristics and equivalent thickness of the electrocatalysts, other factors affecting the efficiency that have been considered in this study encompass the type of gas diffusion layer (GDLs), including carbon paper and stainless-steel fiber paper supports, and several commercial anion exchange membranes. The electrocatalytic performances in both a threeelectrode and complete single cell AEMWE set-ups, together with the physico-chemical characterization of the electrodes before and after operation, have served to select the optimum components for the utilized cell configuration. Thus, current densities of 670 mA cm-2, at polarization voltage of 2.2 V, 1.0 M KOH electrolyte and 40 degrees C were obtained in a membrane electrode assembly. A seven days chronopotentiometry experiment at a fixed current of 400 mA cm-2 demonstrated a noticeable stability of this type of AEMWE cells incorporating ionomer-free electrodes.
September, 2022 | DOI: 10.1016/j.renene.2022.08.013
Reactividad de Sólidos
Oxygen production routes assessment for oxy-fuel combustion
Garcia-Luna, S; Ortiz, C; Carro, A; Chacartegui, R; Perez-Maqueda, LAEnergy, 254 (2022) 124303
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Oxyfuel combustion is a promising alternative to decarbonize the power sector. However, the main barrier to commercial deployment of the technology is the high energy consumption associated with oxygen production (-200-300 kWh per ton of O-2), which penalizes the thermal-to-electric efficiency of 8.5-12% compared to traditional air combustion plants. Typically, oxygen is obtained from a cryogenic air separation process. However, other technologies have been gaining momentum in recent years, such as membrane technologies, chemical looping air separation, and renewable-driven electrolysis. The present work evaluates all these options for O-2 production to retrofit a 550 MWe coal-fired power plant with oxyfuel combustion. A techno-economic assessment is carried out to estimate the energy penalty, the O-2 production cost (V/ton) and the Levelized Cost of Electricity. The best results are obtained by combining oxygen transport membranes and electrolysis since the energy consumption has been reduced to 98.56 kWh/ton of O(2, )decreasing by 59.31% the cryogenic distillation energy consumption (242.24 kWh/ ton O2), reducing the overall energy penalty compared to cryogenic air separation from 8.88% points to 7.56%points. The oxygen transport membrane presents the lowest cost of electricity in retrofitting cases, 51.48 $/MWh, while cryogenic distillation estimated cost is 52.7 $/MWh. Their costs of avoided CO2 are 31.79 $/ton CO2 and 34.15 $/ton CO2 respectively.
September, 2022 | DOI: 10.1016/j.energy.2022.124303
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