Scientific Papers in SCI
2021
2021
Reactividad de Sólidos
Mechanochemical synthesis of ternary chalcogenide chalcostibite CuSbS2 and its characterization
Dutkova, E; Sayagues, MJ; Fabian, M; Kovac, J; Kovat, J; Balaz, M; Stahorsky, MJournal of Materials Science-Materials in Electronics (2021)
In this work, the very rapid one-step mechanochemical synthesis of nanocrystalline ternary chalcogenide chalcostibite CuSbS2 prepared from copper, antimony, and sulfur precursors by high-energy milling for only 30 min in a planetary mill is reported. XRD confirmed the orthorhombic crystal structure of CuSbS2. The crystallite size of CuSbS2 calculated by LeBail refinement of the X-ray powder diffraction data was 25 nm. The nanocrystalline chalcostibite CuSbS2 was also confirmed by transmission electron microscopy. The purity of CuSbS2 was verified by Raman spectroscopy. The synthesized chalcostibite exhibits the specific surface area value of 2.4 m(2)g(-1). UV-Vis spectroscopy showed the optical bandgap of CuSbS2 as 1.54 eV with wide range of absorption in visible region. Photoresponse of CuSbS2 was confirmed by I-V measurements under dark and light illumination. The proposed mechanochemical synthesis provides an alternative approach to prepare also other ternary semiconductor nanomaterials. CuSbS2 semiconductor nanocrystals have the potential to be used as light absorbers in photovoltaics.
August, 2021 | DOI: 10.1007/s10854-021-06767-9
Nanotecnología en Superficies y Plasma
Characterizing the physicochemical and mechanical properties of ZrN thin films deposited on Zr substrates by pulsed laser technique
Ghemras, I; Abdelli-Messaci, S; Alili, B; Gonzalez-Elipe, AR; Rico, VJ; Izerrouken, M; Khereddine, AY; Hadj-Larbi, FEuropean Physical Journal-Applied Physics, 95 (2021) 10301
Due to their outstanding physical and mechanical features, ZrN thin films are increasingly used as coatings to protect materials intended for nuclear applications such as Zirconium. To our knowledge, there is no report of pulsed laser deposition (PLD) of ZrN thin films on a Zr substrate. In this work, we have successfully prepared ZrN thin films on Zr substrates using the PLD technique with a KrF excimer laser, in a N-2 environment at 2 Pa pressure and a fixed substrate temperature of 500 degrees C. The deposited 200 nm ZrN thin films exhibited a homogeneous surface and showed a face-centered cubic polycrystalline structure. The surface roughness was 3.69 nm. X-ray diffraction, Raman and X-ray photoelectron spectroscopy measurements confirmed the presence of ZrN. The coated sample's mean value of hardness (11.6 GP) doubled that of the uncoated sample.
July, 2021 | DOI: 10.1051/epjap/2021210064
Química de Superficies y Catálisis
How a small modification in the imidazolium-based SDA can determine the zeolite structure? MFI vs. TON
Megias-Sayago, C; Blanes, JMM; Szyja, BM; Odriozola, JA; Ivanova, SMicroporous and Mesoporous Materials, 322 (2021) 111160
The present study proposes an important contribution to the understanding of ionic liquid role as structure directing agent for zeolite synthesis. A series of imidazolium based ionic liquids are used for this purpose. While the anionic counterpart influences the micellar organization during the synthesis, the imidazolium cation clearly directs the structure to one or another zeolite family as a function of its substituents and their interaction with the zeolite framework. The experimental observations are contrasted with molecular modeling explaining the distinct zeolite families obtained on the basis of different preferential orientation of the ionic liquids to the Si33 precursor.
July, 2021 | DOI: 10.1016/j.micromeso.2021.111160
Reactividad de Sólidos
Tuning the excitation wavelength of luminescent Mn2+-doped ZnSxSe1-x obtained by mechanically induced self-sustaining reaction
Aviles, MA; Gotor, FJOptical Materials, 117 (2021) 111121
Mn2+-doped ZnSxSe1-x solid solution samples (Mn:ZnSxSe1-x) were synthesized by the mechanochemical process denoted as mechanically-induced self-sustaining reaction from Mn/Zn/S/Se powder elemental mixtures. The samples were characterized by X-ray diffraction, scanning electron microscopy, diffuse reflectance UV-Vis spectroscopy and emission and excitation photoluminescence measurements. The band-gap energy of samples was controlled by changing the stoichiometry, x, of the solid solution. All samples showed the characteristic Mn2+ 4T1-6A1 emission at -588 nm when exciting the host material, so it was possible to tune the excitation wavelength from 349 nm to 467 nm. However, an efficiency loss was observed with increasing Se content, probably due to the overlap between the absorption and emission spectra that induced self-absorption and emission quenching.
July, 2021 | DOI: 10.1016/j.optmat.2021.111121
Archeometric characterization (physical-chemical and microstructural) of tiles in the Mudejar Palace of the Royal Alcazar of Seville using non-invasive quantitative chemical methods
Perez-Rodriguez, JL; Robador, MD; Castaing, J; de Viguerie, L; Garrote, MA; Pleguezuelo, ABoletin de la Sociedad Española de Ceramica y Vidrio, 60 (2021) 211-228
The Palaces in the Alcazar of Seville, Spain, are famous for their ceramic decoration. The technique of tessellation was used extensively in all rooms in the Mudejar Palace, dated in the fourteenth century. These glazed ceramics have been analysed in situ using noninvasive quantitative chemical methods of X-ray fluorescence and diffraction (XRF and XRD). Micro-samples were taken to prepare cross-sections and analysed by optical and electronic microscopy. The composition of these ceramics, their manufacturing technique and the time of application in the different areas of the Palace have been characterized in this work. Five colours have been found in the glazed ceramics: green, black, molasses, white and blue. Fe, Co, Cu, Mn and Sn are the main chemical elements responsible for the colour of the glass phase of these ceramics. Wollastonite, quartz, bustamite and feldspars inclusions have been found in the glass phase. Casiterite and Malayaite have been also characterized by XRD. The ceramic paste used for manufacturing was calcic and was heated at about 900 degrees C. Thenardite, gypsum, sodium chloride and nitrogen compounds have been characterized in the ceramic and are responsible for their alteration. The information obtained in the 24 zones studied shows that there is no homogeneity in the ceramics due to the different times in which the tiles were placed and the restorations carried out over time. There are 3 main groups of ceramics: a) probably from 14th century, b), probably from 15-16th centuries and c) from 19-20th centuries and recent restorations.
July, 2021 | DOI: 10.1016/j.bsecv.2020.03.001
Materiales Ópticos Multifuncionales
Light-Harvesting Properties of a Subphthalocyanine Solar Absorber Coupled to an Optical Cavity
Esteso, V; Calio, L; Espinos, H; Lavarda, G; Torres, T; Feist, J; Garcia-Vidal, FJ; Bottari, G; Míguez, HSOLAR RRL, (2021) 2100308
Herein, both from the experimental and theoretical point of view, the optical absorption properties of a subphthalocyanine (SubPc), an organic macrocycle commonly used as a sunlight harvester, coupled to metallic optical cavities are analyzed. How different electronic transitions characteristic of this compound and specifically those that give rise to excitonic (Q band) and charge transfer (CT band) transitions couple to optical cavity modes is investigated. It is observed that whereas the CT band couples weakly to the cavity, the Q band transitions show evidence of hybridization with the photon eigenstates of the resonator, a distinctive trait of the strong coupling regime. As a result of the different coupling regimes of the two electronic transitions, very different spectral and directional light-harvesting features are observed, which for the weakly coupled CT transitions are mainly determined by the highly dispersive cavity modes and for the strongly coupled Q band by the less angle-dependent exciton-polariton bands. Modeling also allows discriminating parasitic from productive absorption in each case, enabling the estimation of the expected losses in a solar cell acting as an optical resonator.
July, 2021 | DOI: 10.1002/solr.202100308
Materiales y Procesos Catalíticos de Interés Ambiental y Energético
Mechanistic Considerations on the H-2 Production by Methanol Thermal-assisted Photocatalytic Reforming over Cu/TiO2 Catalyst
Platero, F; Lopez-Martin, A; Caballero, A; Colon, GCHEMCATCHEM, 13 (2021) 3878-3888
We have studied the gas phase H-2 production by methanol thermo-photoreforming using Cu-modified TiO2. Metal co-catalyst has been deposited by means of photodeposition method. The concentration of methanol in the steam was also considered. It appears that H-2 production is notably higher as temperature increases. Moreover, the optimum H-2 yield is achieved using methanol concentration of 10 % v/v. CO and CO2 were monitored as side products of the overall reaction. It has been stated that CO evolution is significant at lower temperatures. As temperature increases, CO evolution is hindered and H-2 appeared boosted. We have demonstrated that other reactions such water-gas-shift or formate dehydration would participate in the overall process. On this basis, optimal operational condition for H-2 production is attained for thermo-photocatalytic reforming of methanol solution 10 % v/v at 200 degrees C.
July, 2021 | DOI: 10.1002/cctc.202100680
Química de Superficies y Catálisis
Bimetallic Ni-Ru and Ni-Re Catalysts for Dry Reforming of Methane: Understanding the Synergies of the Selected Promoters
Moreno, AA; Ramirez-Reina, T; Ivanova, S; Roger, AC; Centeno, MA; Odriozola, JAFrontiers in Chemistry, 9 (2021) 694976
Designing an economically viable catalyst that maintains high catalytic activity and stability is the key to unlock dry reforming of methane (DRM) as a primary strategy for biogas valorization. Ni/Al2O3 catalysts have been widely used for this purpose; however, several modifications have been reported in the last years in order to prevent coke deposition and deactivation of the samples. Modification of the acidity of the support and the addition of noble metal promoters are between the most reported strategies. Nevertheless, in the task of designing an active and stable catalyst for DRM, the selection of an appropriate noble metal promoter is turning more challenging owing to the lack of homogeneity of the different studies. Therefore, this research aims to compare Ru (0.50 and 2.0%) and Re (0.50 and 2.0%) as noble metal promoters for a Ni/MgAl2O4 catalyst under the same synthesis and reaction conditions. Catalysts were characterized by XRF, BET, XRD, TPR, hydrogen chemisorption (H2-TPD), and dry reforming reaction tests. Results show that both promoters increase Ni reducibility and dispersion. However, Ru seems a better promoter for DRM since 0.50% of Ru increases the catalytic activity in 10% and leads to less coke deposition.
July, 2021 | DOI: 10.3389/fchem.2021.694976
Materiales Ópticos Multifuncionales
Ligand-Free MAPbI(3) Quantum Dot Solar Cells Based on Nanostructured Insulating Matrices
Rubino, A; Calio, L; Calvo, ME; Miguez, HSOLAR RRL (2021) 2100204
The stability, either chemical or thermal, and performance of colloidal quantum dot (CQD) devices are typically limited by the presence of surface-bonded organic ligands required to stabilize the nanocrystals. In addition, optimization of charge transport implies lengthy ligand exchange processing. Herein, evidence of efficient charge transport through a network of ligand-free perovskite quantum dots (PQDs) embedded in an insulating porous matrix made of monodisperse SiO2 nanoparticles is shown. Methylammonium lead iodide (CH3NH3PbI3 or MAPbI(3)) QDs are prepared in situ by infiltration of precursors within the matrix pores, which act both as nanoreactors for the synthetic reaction and as supporting scaffolds, hence reducing the number of synthetic and postprocessing steps usually required in CQD solar cells. Above a certain nanocrystal load, charge percolation is reached and dot-to-dot transport achieved without compromising quantum confinement effects. Solar cells based on MAPbI(3) QDs prepared in this way present a 9.3% efficiency, the highest reported for a scaffold-supported PQD solar cell, and significantly improved stability under solar illumination with respect to their bulk counterparts. Therefore, adequately designed networks of ligand-free PQDs can be used as both light harvesters and photocarrier conductors, in an alternative configuration to that used in previously developed QD solar cells.
July, 2021 | DOI: 10.1002/solr.202100204
Química de Superficies y Catálisis
Current scenario and prospects in manufacture strategies for glass, quartz, polymers and metallic microreactors: A comprehensive review
Dominguez, MI; Centeno, MA; Martinez, TM; Bobadilla, LF; Laguna, OH; Odriozola, JAChemical Engineering Research & Design, 171 (2021) 13-35
One of the most remarkable benefits of the microreactors is the achievement of more efficient processes by enhancing the heat and mass transfer phenomena, which is the key factor for processes intensification in chemical reactions, resulting in higher conversion, selectivity and yield towards desired products. Currently, the entire scenario of microreaction approach is an emergent technology and further advances are ongoing. Several strategies have been successfully applied for structuring processes that imply the fixation of the catalysts on the microreactors. However, there are features such as the physicochemical stability of the coatings under reaction conditions that must be improved, motivating the search for new protocols. This review provides a general overview of the most important methodologies applied for glass, quartz, polymers and metals microreactors manufacture and for their coating, analyzing the advantages and drawbacks of every procedure. Furthermore, an outline of the novel insights based on additive manufacturing techniques are described.
July, 2021 | DOI: 10.1016/j.cherd.2021.05.001
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