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Scientific Papers in SCI



2022


Effect of sintering under CO+N-2/H-2 and CO2+air atmospheres on the physicochemical features of a commercial nano-YSZ

Colomer, M.T.; Simenas, M.; Banys, J.; Vattier, F.; Gagor, A.; Maczka, M.
Journal of Alloys and Compounds, 904 (2022) 163976

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Given the need to process anodes and composites based on nano-YSZ in reducing or in air containing additional CO2 atmospheres for the fabrication of solid oxide fuel cells (SOFCs), and solid oxide electrolysis cells (SOECs), we have studied the effect of the exposure to CO+N2/H2 or CO2+air mixtures during sintering of YSZ green pellets, prepared from commercial nanopowders, on their structure, microstructure, chemical composition and their electrical properties. The reduced sample shows Raman bands at 1298 and 1605 cm−1 that are assigned to the D and G bands of carbon, respectively. The bands intensity ratio ID/IG indicates a larger content of disordered carbon. X-ray photoelectron spectroscopy (XPS) shows that C is present in the reduced samples as reduced carbon. However, the samples sintered in CO2+air present C as carbonate-type. Impedance spectroscopy reveals that the highest total conductivity is for the reduced samples in the whole range of studied temperatures. In addition, sintering in CO2+air causes a detrimental effect on the grain boundary conductivity and therefore, on the total electrical conductivity of YSZ. It can be due to the presence of impurities such as carbonates and oxidised or even, polymerised carbonaceous species located at those areas.


May, 2022 | DOI: 10.1016/j.jallcom.2022.163976

Materiales de Diseño para la Energía y Medioambiente

High temperature mechanical properties of polycrystalline Y2SiO5

Cabezas-Rodríguez, R; Ciria, D; Martínez-Fernandez, J; Dezanneau, G; Karolak, F; Ramirez-Rico, J
Boletin de la Sociedad Española de Ceramica y Vidrio, 61 (2022) S60-S68-228

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The high temperature mechanical properties of polycrystalline Y2SiO5 were studied in compression at temperatures in the range of 1200-1400 degrees C, both in constant strain rate and constant stress experiments. To examine the effect of grain size on the plastic deformation, two routes were used for the synthesis and sintering of Y2SiO5: one of solid state reaction followed by conventional sintering in air, and one of sol-gel synthesis followed by spark-plasma sintering, resulting in starting grain sizes of 2.2 and 0.9 mu m, respectively. Ceramics obtained by these routes exhibited different high-temperature compression behavior: while the conventionally processed ceramic exhibited grain growth during mechanical testing and a stress exponent close to one, compatible with diffusional creep, the spark-plasma sintered ceramic showed no grain growth but significant cavitation, a stress exponent close to two and partially superplastic behavior. These results have implications for the design and lifetime assessment of rare earth silicate-based environmental barrier coatings. 


May, 2022 | DOI: 10.1016/j.bsecv.2021.09.008

Nanotecnología en Superficies y Plasma

Role of Surface Topography in the Superhydrophobic Effect-Experimental and Numerical Studies

Ibrahim, SH; Wejrzanowski, T; Przybyszewski, B; Kozera, R; Garcia-Casas, X; Barranco, A
Materials, 15 (2022) 3112

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Within these studies, the effect of surface topography for hydrophobic coatings was studied both numerically and experimentally. Chemically modified polyurethane coating was patterned by application of a laser beam. A set of patterns with variously distant linear peaks and grooves was obtained. The cross section of the pattern showed that the edges of the peaks and grooves were not sharp, instead forming a rounded, rectangle-like shape. For such surfaces, experimental studies were performed, and in particular the static contact angle (SCA), contact angle hysteresis (CAH), and roll-off angle (ROA) were measured. Profilometry was used to create a numerical representation of the surface. Finite volume method was then applied to simulate the behavior of the water droplets. The model developed herewith enabled us to reproduce the experimental results with good accuracy. Based on the verified model, the calculation was extended to study the behavior of the water droplet on the simulated patterns, both spiked and rectangular. These two cases, despite a similar SCA of the water droplet, have shown extremely different ROA. Thus, more detailed studies were dedicated to other geometrical features of such topography, such as the size and distance of the surface elements. Based on the results obtained herewith, the future design of superhydrophobic and/or icephobic topography is discussed.


May, 2022 | DOI: 10.3390/ma15093112

Química de Superficies y Catálisis

3D-printed structured catalysts for CO2 methanation reaction: Advancing of gyroid-based geometries

Gonzalez-Castano, M; Baena-Moreno, F; De Miguel, JCN; Miah, KUM; Arroyo-Torralvo, F; Ossenbrink, R; Odriozola, JA; Benzinger, W; Hensel, A; Wenka, A; Arellano-García, H
Energy Conversion and Management, 258 (2022) 115464

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This work investigates the CO2 methanation rate of structured catalysts by tuning the geometr y of 3D-printed metal Fluid Guiding Elements (FGEs) structures based on periodically variable pseudo-gyroid geometries. The enhanced performance showed by the structured catalytic systems is mostly associated with the capability of the FGEs substrate geometries for efficient heat usages. Thus, variations on the channels diameter resulted in ca. 25% greater CO2 conversions values at intermediate temperature ranges. The highest void fraction evidenced in the best performing catalyst (3D-1) favored the radial heat transfer and resulted in significantly enhanced catalytic activity, achieving close to equilibrium (75%) conversions at 400 ? and 120 mL/min. For the 3D-1 catalyst, a mathematical model based on an experimental design was developed thus enabling the estimation of its behavior as a function of temperature, spatial velocity, hydrogen to carbon dioxide (H-2/CO2) ratio, and inlet CO2 concentration. Its optimal operating conditions were established under 3 different scenarios: 1) no restrictions, 2) minimum H-2:CO2 ratios, and 3) minimum temperatures and H-2/CO2 ratio. For instance, for the lattest scenario, the best CO2 methanation conditions require operating at 431 ?, 200 mL/min, H-2/CO2 = 3 M ratio, and inlet CO2 concentration = 10 %.


April, 2022 | DOI: 10.1016/j.enconman.2022.115464

Nanotecnología en Superficies y Plasma

QUEELS: Software to calculate the energy loss processes in TEELS, REELS, XPS and AES including effects of the core hole

Tougaard, S; Pauly, N; Yubero, F
Surface and Interface Analysis, 54 (2022) 820-833

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We present the user-friendly and freely available software package QUEELS (QUantitative analysis of Electron Energy Losses at Surfaces) that allows to calculate effective inelastic scattering cross sections within the dielectric response description, for swift electrons travelling nearby surfaces in several environments. We briefly describe the underlying theoretical models and illustrate its use to evaluate the distribution of energy losses taking place in electron spectroscopies like transmission electron energy loss spectroscopy (TEELS), X-ray photoelectron spectroscopy (XPS), Auger electron spectroscopy (AES) and reflection electron energy loss spectroscopy (REELS), which are widely used for material analysis. This includes the intrinsic excitations due to the core hole in XPS and AES.


April, 2022 | DOI: 10.1002/sia.7095

 

 

 

 

 

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