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Scientific Papers in SCI



2022


Química de Superficies y Catálisis

Electrocatalytic CO2 conversion to C-2 products: Catalysts design, market perspectives and techno-economic aspects

Ruiz-López, E; Gandara-Loe, J; Baena-Moreno, F; Reina, TR; Odriozola, JA
Renewable & Sustainable Energy Reviews, 161 (2022) 112329

The energy crisis caused by the incessant growth in global energy demand joint to its associated greenhouse emissions motivates the urgent need to control and mitigate atmospheric CO2 levels. Leveraging CO2 as carbon pool to produce value-added products represents a cornerstone of the circular economy. Among the CO2 utilization strategies, electrochemical reduction of CO2 conversion to produce fuels and chemicals is booming due to its versatility and end-product flexibility. Herein most of the studies focused on C-1 products although C-2 and C2+ compounds are chemically and economically more appealing targets requiring advanced catalytic materials. Still, despite the complex pathways for C2+ products formation, their multiple and assorted applications have motivated the search of suitable electrocatalysts. In this review, we gather and analyse in a comprehensive manner the progress made regarding C2+ products considering not only the catalyst design and the electrochemistry features but also techno-economic aspects in order to envisage the most profitable scenarios. This state-of-the-art analysis showcases that electrochemical reduction of CO2 to C-2 products will play a key role in the decarbonisation of the chemical industry paving the way towards a low-carbon future.


June, 2022 | DOI: 10.1016/j.rser.2022.112329

Materiales y Procesos Catalíticos de Interés Ambiental y Energético

Enhanced photocatalytic activity of TiO2/WO3 nanocomposite from sonochemical-microwave assisted synthesis for the photodegradation of ciprofloxacin and oxytetracycline antibiotics under UV and sunlight

Moghni, N; Boutoumi, H; Khalaf, H; Makaoui, N; Colon, G
Journal of Photochemistry and Photobiology A-Chemistry, 428 (2022) 113848

The TiO2/WO3 photocatalysts were prepared by a simple assisted sonochemical -microwave combination. The wide surface and structural characterization of synthesized material confirmed that the adopted preparation method resulted in nanoparticulated crystallite anatase phase of TiO2 with a large surface area (> 200 m(2)/g), and the dispersion of WO3 on the surface of TiO2. The photoactivity was assessed for the photodegradation of ciprofloxacin (CIP) and oxytetracycline (OTC) antibiotics under UV and sunlight irradiation. The mineralization rate, toxicity assessment, pollutant concentration effect on photodegradation efficiency, and reusability potential under sunlight were all investigated. Results showed that TiO2 doped with 5 wt% of WO3 exhibited the best photocatalytic activity under UV (100% degradation) and solar light. Rate constants for CIP and OTC degradation showed that TiO2/WO3 significantly improved with respect to bare TiO2. The antibacterial study revealed that the photodegraded solutions became less toxic than the initial CIP and OTC solutions showing a significant decrease in the inhibition zone diameter and mineralization rates. The prepared TiO2/WO3 maintained high performances in the presence of high concentrations of pollutants as well as good stability after four consecutive uses. The increased photocatalytic activity is attributed to the incorporation of WO3, which extends the light absorption range and decreases the rate of electron -hole recombination.


June, 2022 | DOI: 10.1016/j.jphotochem.2022.113848

Química de Superficies y Catálisis

Evidence of new Ni-O-K catalytic sites with superior stability for methane dry reforming

Azancot, L; Blay, V; Blay-Roger, R; Bobadilla, LF; Penkova, A; Centeno, MA; Odriozola, JA
Applied Catalysis B-Environmental, 307 (2022) 121148

Liquid fuels produced via Fischer-Tropsch synthesis from biomass-derived syngas constitute an attractive and sustainable energy vector for the transportation sector. This study focuses on the role of potassium as a promoter in Ni-based catalysts for reducing coke deposition during catalytic dry reforming. The study provides a new structural link between catalytic performance and physicochemical properties. We identify new Ni-O-K chemical states associated with high stability in the reforming process, evidenced by different characterization techniques. The nickel particles form a core surrounded by a Ni-O-K phase layer (Ni@Ni-O-K) during the reduction of the catalyst. This phase likely presents an alkali-nickelate-type structure, in which nickel is stabilized in oxidation state + 3. The Ni-O-K formation induces essential changes in the electronic, physical, structural, and morphological properties of the catalysts, notably enhancing their long-term stability in dry reforming. This work thus provides new directions for designing more efficient catalysts for sustainable gas-to-liquids processes.


June, 2022 | DOI: 10.1016/j.apcatb.2022.121148

Reduction of N2O with hydrosilanes catalysed by RuSNS nanoparticles

Molinillo, P; Lacroix, B; Vattier, F; Rendon, N; Suarez, A; Lara, P
Chemical Communications

A series of RuSNS nanoparticles, prepared by decomposition of Ru(COD)(COT) with H-2 in the presence of an SNS ligand, have been found to catalyse the reduction of the greenhouse gas N2O to N-2 employing different hydrosilanes.


June, 2022 | DOI: 10.1039/d2cc01470j

Materiales Avanzados

Synthesis and characterization of alkali-activated materials containing biomass fly ash and metakaolin: effect of the soluble salt content of the residue

Jurado-Contreras, S; Bonet-Martínez, E; Sánchez-Soto, PJ; Gencel, O; Eliche-Quesada, D
Archives of Civil and Mechanical Engineering, 22 (2022) 121

The present study investigates the production and characterization of alkali-activated bricks prepared with mixing metakaolin (MK) and biomass fly ash from the combustion of a mix of pine pruning, forest residues and energy crops (BFA). To use this low cost and high availability waste, different specimens were prepared by mixing MK with different proportions of BFA (25, 50 and 75 wt%). Specimens containing only metakaolin and biomass fly ash were produced for the purpose of comparison. Effects of the alkali content of biomass fly ash, after a washing pretreatment (WBFA), as well as the concentration of NaOH solution on the physical, mechanical and microstructural properties of the alkali-activated bricks were studied. It was observed that up to 50 wt% addition of the residue increases compressive strength of alkali-activated bricks. Alkalinity and soluble salts in fly ash have a positive effect, leading materials with the improved mechanical properties. Concentration of NaOH 8 M or higher is required to obtain optimum mechanical properties. The compressive strength increases from 23.0 MPa for the control bricks to 44.0 and 37.2 MPa with the addition of 50 wt% BFA and WBFA, respectively, indicating an increase of more than 60%. Therefore, the use of biomass fly ash provides additional alkali (K) sources that could improve the dissolution of MK resulting in high polycondensation. However, to obtain optimum mechanical properties, the amount of BFA cannot be above 50 wt%.


May, 2022 | DOI: 10.1007/s43452-022-00444-2

Materiales Coloidales

Neodymium doped lanthanide fluoride nanoparticles as contrast agents for luminescent bioimaging and X-ray computed tomography

Gonzalez-Mancebo, D; Becerro, AI; Calderon-Olvera, RM; Cantelar, E; Corral, A; Balcerzyk, M; De la Fuente, JM; Ocaña, M
Boletin de la Sociedad Española de Ceramica y Vidrio, 61 (2022) 540-549

The synthesis of uniform neodymium-doped lanthanum trifluoride nanoparticles with lenticular shape and a mean diameter around 45 nm by using a homogeneous precipitation method is reported. The luminescent properties of the synthesized samples in terms of their emission spectra and emission lifetime are analyzed as a function of the Nd content to find the optimum phosphor and its suitability for luminescent imaging in the second biological window. The X-ray attenuation properties of the optimum phosphor are evaluated to investigate their additional ability as contrast agent for X-ray computed tomography. Finally, the colloidal stability of the obtained nanoparticles in physiological medium and their cytotoxicity are also analyzed to assess their aptness for in vivo bioimaging applications. 


May, 2022 | DOI: 10.1016/j.bsecv.2021.07.004

Química de Superficies y Catálisis

Versatile Ni-Ru catalysts for gas phase CO2 conversion: Bringing closer dry reforming, reverse water gas shift and methanation to enable end-products flexibility

Merkouri, LP; le Sache, E; Pastor-Perez, L; Duyar, MS; Reina, TR
Fuel, 315 (2022) 123097

Advanced catalytic materials able to catalyse more than one reaction efficiently are needed within the CO2 utilisation schemes to benefit from end-products flexibility. In this study, the combination of Ni and Ru (15 and 1 wt%, respectively) was tested in three reactions, i.e. dry reforming of methane (DRM), reverse water-gas shift (RWGS) and CO2 methanation. A stability experiment with one cycle of CO2 methanation-RWGS-DRM was carried out. Outstanding stability was revealed for the CO2 hydrogenation reactions and as regards the DRM, coke formation started after 10 h on stream. Overall, this research showcases that a multicomponent Ni-Ru/CeO2 -Al2O3 catalyst is an unprecedent versatile system for gas phase CO2 recycling. Beyond its excellent performance, our switchable catalyst allows a fine control of end-products selectivity.


May, 2022 | DOI: 10.1016/j.fuel.2021.123097

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

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

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

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

 

 

 

 

 

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