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Scientific Papers in SCI



2022


Tribología y Protección de Superficies

High-Quality SiO2/O-Terminated Diamond Interface: Band-Gap, Band-Offset and Interfacial Chemistry

Canas, J; Reyes, DF; Zakhtser, A; Dussarrat, C; Teramoto, T; Gutierrez, M; Gheeraert, E
Nanomaterials, 12 (2022) 4125

Silicon oxide atomic layer deposition synthesis development over the last few years has open the route to its use as a dielectric within diamond electronics. Its great band-gap makes it a promising material for the fabrication of diamond-metal-oxide field effects transistor gates. Having a sufficiently high barrier both for holes and electrons is mandatory to work in accumulation and inversion regimes without leakage currents, and no other oxide can fulfil this requisite due to the wide diamond band-gap. In this work, the heterojunction of atomic-layer-deposited silicon oxide and (100)-oriented p-type oxygen-terminated diamond is studied using scanning transmission electron microscopy in its energy loss spectroscopy mode and X-ray photoelectron spectroscopy. The amorphous phase of silicon oxide was successfully synthesized with a homogeneous band-gap of 9.4 eV. The interface between the oxide and diamond consisted mainly of single- and double-carbon-oxygen bonds with a low density of interface states and a straddling band setting with a 2.0 eV valence band-offset and 1.9 eV conduction band-offset.


December, 2022 | DOI: 10.3390/nano12234125

Materiales y Procesos Catalíticos de Interés Ambiental y Energético

Assessment of pilot-plant scale solar photocatalytic hydrogen generation with multiple approaches: Valorization, water decontamination and disinfection

Ruiz-Aguirre, A; Villachica-Llamosas, JG; Polo-Lopez, MI; Cabrera-Reina, A; Colon, G; Peral, J; Malato, S
Energy, 260 (2022) e10272

The main goal of the present study was to explore pilot-scale combination of H-2 generation with simultaneous water disinfection or decontamination. Performance of a TiO2-CuO mixture for solar-to-hydrogen (STH) con-version was studied, focusing on treatment optimization (catalyst dose, proportion of semiconductors in the mixture and concentration of the sacrificial agent). Experiments were performed in a 25-L compound parabolic collector (2 m(2)) solar pilot plant specifically designed for photocatalytic hydrogen generation. The best operating conditions were 100 mg L-1 TiO2-CuO (10:1) with 0.075 M glycerol as the sacrificial agent. The best STH conversion attained was 0.9%. 25 mg L-1 imidacloprid was completely degraded (over 99%). The synergetic effect of anoxic conditions, TiO2:CuO and solar radiation caused a significant reduction (> 5 Log) in concen-tration of E. coli, used as a model waterborne pathogen, in less than 10 min.


December, 2022 | DOI: 10.1016/j.energy.2022.125199

Materiales de Diseño para la Energía y Medioambiente

Exploring the local environment of the engineered nanoclay Mica-4 under hydrothermal conditions using Eu(3+)as a luminescent probe

Martin-Rodriguez, R; Aguado, F; Alba, MD; Valiente, R; Pavon, E; Perdigon, AC
Journal of Alloys and Compounds, 921 (2022) 166086

High charge mica Na4Al4Si4Mg6O20F4 , Mica-4, is a promising candidate as a filling material to immobilize high-level radioactive waste in deep geological repositories due to its extraordinary adsorption capacity. In contrast to traditional clay materials, the structural composition of this mica, with a high content of alu-minum in the tetrahedral sheet, enhances its chemical reactivity, favoring the formation of new crystalline phases under mild hydrothermal conditions, and thus providing a definitive isolation of the radionuclides in the engineered barrier. Moreover, this synthetic clay has some features that allow its use as an optical sensor by doping with luminescent rare earth cations such as Eu3+. In this paper we discuss the local structure of the nanoclay Mica-4 using Eu3+ as a local probe to track the physical and chemical modifica-tions under hydrothermal conditions. For that purpose, a set of hydrothermal experiments has been carried out heating Mica-4 and an aqueous Eu(NO3)(3) solution in a stainless steel reactor at different temperatures and times. Optical properties of the as-treated samples were characterized by spectroscopic measurements. The fine peak structure of emission and the relative intensity of different Eu3+ transitions as well as the luminescence lifetime have been correlated with the structure and composition of this nanoclay, and the interaction mechanisms between the lanthanide ions and the clay mineral at different temperatures and times. Special attention has been paid to understanding the role of the aluminum content, which may act as either an aggregating or dispersing agent, in the optical features and reactivity of the system.


November, 2022 | DOI: 10.1016/j.jallcom.2022.166086

Materiales de Diseño para la Energía y Medioambiente

Insights into the Impact of Activators on the 'Catalytic' Graphitization to Design Anode Materials for Lithium Ion Batteries

Hanhart, V; Frankenstein, L; Ramirez-Rico, J; Diozios, V; Winter, M; Gomez-Martin, A; Placke, T
Chemelectrochem, 9 (2022) e202200819

In this work, we systematically investigate the 'catalytic' graphitization of a biomass precursor (coffee ground) using 10-60 wt.% of the activator iron (III) chloride hexahydrate in a temperature range of 1000 degrees C-2400 degrees C. Special focus is put on the correlation of synthesis conditions, e.g., heat treatment temperature and mass fraction of iron chloride, with the electrochemical performance in carbon vertical bar vertical bar Li metal cells. The structural investigations of the materials reveal a positive impact of an increasing heat treatment temperature and/or mass fraction of inserted activator on the degree of graphitization and the delithiation capacity. However, a saturation point regarding the maximum degree of graphitization at 2000 degrees C and reversible capacity by the 'catalytic' graphitization approach using iron (III) chloride has been found. A maximum degree of graphitization of approximate to 69% could be reached by applying 2000 degrees C and 40 wt.% FeCl3 center dot 6H(2)O, resulting in a reversible capacity of 235 mAh g(-1).


November, 2022 | DOI: 10.1002/celc.202200819

Reactividad de Sólidos

Improvement in cyclic CO2 capture performance and fluidization behavior of eggshell-derived CaCO3 particles modified with acetic acid used in calcium looping process

Imani, M; Tahmasebpoor, M; Sanchez-Jimenez, PE; Valverde, JM; Moreno, V
Journal of CO2 Utilization, 65 (2022) 102207

Although calcium-based materials are the most promising adsorbents used in calcium looping process for carbon dioxide removing, their CO2 capture capacity decaying besides poor fluidization, still are the important challenges. In the present investigation, eggshell as a cheap, easily available and unpolluted source of calcium carbonate was used for CO2 capturing in calcium looping process. Eggshell particles were treated with various volume concentrations of acetic acid to improve its sorption capacity. According to the TGA results after 20 carbonation/calcination cycles, the effective carbonation conversion of modified eggshell with 5%, 20%, 30% and 40%. v/v acetic acid was 21.33%, 24.26%, 25.97% and 28.97%, respectively, which is considerable compared to 20.54% for untreated eggshell. The effect of initial eggshell particle size on the adsorption behavior of final adsorbent was also investigated by using two different sizes including dp < 45 mu m and dp > 320 mu m. The results showed that the effective conversion of the adsorbent containing 40%. v/v acetic acid derived from small particle size eggshells was 9.32% higher than that from larger particle size eggshells. In terms of fluidization behavior, surprisingly the addition of acetic acid to the eggshell particles also increased the bed expansion ratio as 8% and 36.2% at gas velocities of 0.27 and 6.67 cm/s, respectively. Further improvement in the fluidity of eggshell modified with 40% acid was performed by manually mixing of SiO2 nanoparticles at different weight percentages. According to the results, adding 7.5 wt% SiO2 leaded to the homogeneous and agglomerate particulate fluidization.


November, 2022 | DOI: 10.1016/j.jcou.2022.102207

Materiales de Diseño para la Energía y Medioambiente

Biopolymer-Based Films Reinforced with FexOy-Nanoparticles

Abdullah, JAA; Jimenez-Rosado, M; Benitez, JJ; Guerrero, A; Romero, A
Polymers, 14 (2022) 4487

Nowadays, natural polymer-based films are considered potentially environmentally friendly alternatives to conventional plastic films, due to many advantageous properties, including their easy processability, high flexibility, non-toxicity, low cost, high availability, and environmental safety. However, they are limited in their application by a number of shortcomings, including their high water solubility and vapor permeability as well as their poor opacity and low mechanical resistance. Thus, nanoparticles, such as green FexOy-NPs, can be used to overcome the drawbacks associated with these materials. Therefore, the aim of this study was to develop three different polymer-based films (gelatin-based, cellulose acetate-based and chitosan-based films) containing green synthesized FexOy-NPs (1.0% w/w of the initial polymer weight) as an additive to improve film properties. This was accomplished by preparing the different films using the casting method and examining their physicochemical, mechanical, microstructural, and functional characteristics. The results show that the incorporation of FexOy-NPs into the different films significantly enhanced their physicochemical, mechanical, and morphological properties as well as their antioxidant characteristics. Consequently, it was possible to produce suitable natural polymer-based films with potential applications across a wide range of industries, including functional packaging for food, antioxidants, and antimicrobial additives for pharmaceutical and biomedical materials as well as pesticides for agriculture.


November, 2022 | DOI: 10.3390/polym14214487

Materiales de Diseño para la Energía y Medioambiente

Transparency of polymeric food packaging materials

Guzman-Puyol, Susana; Benitez, Jose J; Heredia-Guerrero, Jose A
Food Research International, 161 (2022) 111792

Transparency is a very important technical parameter to evaluate and validate certain food packaging materials. In the recent scientific literature, several methods (i.e. transmittance, opacity, haze, and absorbance) have been used and such variety hinders a direct comparison of results from different authors. In this Review, we describe and discuss the most widely employed methods to measure transparency, with special emphasis on two main parameters: transmittance and opacity. Moreover, a comparison of the different techniques is addressed and the typical values of transmittance and opacity of common transparent food packaging materials are provided. Our current opinion is that transparency should be expressed as transmittance in the visible range due to both the quickness and easiness of the measurement and the standardization of data. This information should be accompanied by the thickness value and a graphical image of the analysed samples for a useful and complete characterization.


November, 2022 | DOI: 10.1016/j.foodres.2022.111792

Monitoring the Simultaneous Implantation of Ti and Tb Cations to a Sacrificial Template and the Sol-Gel Synthesis of Tb-Doped TiO2 (Anatase) Hollow Spheres and Their Transition to Rutile Phase

Colomer, MT; Vattier, F
International Journal of Molecular Sciences, 23 (2022) 13162

Tb-doped TiO2 (anatase) micro-hollow spheres (HSs) with nano-shells, in the range 0.00-3.00 at.% Tb, were successfully synthesized by a simultaneous chemical implantation route of both Ti and Tb cations from chlorides to a poly-styrene (PST)-co-poly-divinyl benzene (PDVB) sacrificial template, followed by controlled hydrolysis and polycondensation reactions. After water addition to the mixture of the precursors with the template, a decrease in the intensity and a shift to lower wavenumbers of the C=O absorption band in the IR spectra can indicate not only the anchoring of Ti and Tb ions to the carbonyl group of the template but also the hydrolysis of the implanted precursors. This latter process can involve a proton attack on the Ti-Cl, Tb-Cl and C=O bonds, the occupation of a vacant site by a water molecule, and then the dissociation of the dangling Ti-Cl, Tb-Cl ligands and C=O bonds. It gives rise to Ti1-xTbx[(OH)(4-u)Cl-v]@PST-PDVB and Ti1-xTbx[(OH)(4-y)]@PST-PDVB complexes (x = 0.00, 0.0012, 0.0170 and 0.030). Finally, polycondensation of these species leads to Ti1-xTbxO2-w'@PST-PDVB compounds. After subsequent thermal removal at 550 degrees C of the template, the IR bands of the core (template) totally vanished and new bands were observed in the 400-900 cm(-1) region which can be attributed to the metalloxane bondings (M-O, M'-O, M-O-M, M-O-M' and/or M'-O-M', being M and M' = Ti and Tb, respectively, i.e., mainly vibration modes of anatase). Then, micron-sized HSs of TiO2 and Tb-doped-TiO2 (anatase) were obtained with nano-shells according to field emission gun scanning electron microscopy (FEG-SEM) and transmission electron microscopy (TEM) observations. Furthermore, X-ray photoelectron spectroscopy (XPS) measurements confirmed the presence of Tb4+ (38.5 and 41.2% for 1.70 and 3.00 at.% Tb, respectively) in addition to Tb3+ in the resulting HSs, with increasing Tb4+ content with both Tb doping and higher calcination temperatures. Then, these HSs can be considered as rare earth (RE) co-doped systems, at least for 1.70 and 3.00 at.% Tb contents being the transition to rutile phase favored by Tb doping for those compositions. Finally, diffusion of Tb from the inner parts to the surface of the HSs with the calcination treatments was also observed by XPS.


November, 2022 | DOI: 10.3390/ijms232113162

Fotocatálisis Heterogénea: Aplicaciones

Effective photocatalytic conversion of formic acid using iron, copper and sulphate doped TiO2

Zouheir, M; Tanji, K; Navío, JA; Hidalgo, MC; Jaramillo-Paez, CA; Kherbeche, A
Journal of Central South University, 29 (2022) 3592-3607

In this paper, the combined addition of copper or iron and sulphate ions onto TiO2 prepared by a simple sol-gel method is studied for formic acid photocatalytic conversion. A wide structural and morphological characterization of the different photocatalysts was performed by X-ray diffraction (XRD), N2-physisorption for BET surface area measurements, scanning and transmission electronic microscopies (SEM and TEM), UV-Vis diffuse spectroscopy (DRS) and X-ray photoelectron spectroscopy (XPS), in order to correlate the physico-chemical properties of the materials to their photocatalytic efficiencies for formic acid oxidation. Results have shown important differences among the catalysts depending on the metal added. Sulphated TiO2/Cu (1%Cu) was the best photocatalyst obtaining about 100% formic acid conversion in only 5 min. The appropriate physico-chemical features of this photocatalyst, given by the addition of combined copper and sulphate ions, explain its excellence in photocatalytic reaction.


November, 2022 | DOI: 10.1007/s11771-022-5172-9

Materiales Nanoestructurados y Microestructura

Morphologically diverse CaCO3 microparticles and their incorporation into recycled cellulose for circular economy

Guerra-Garces, J; Garcia-Negrete, CA; Pastor-Sierra, K; Arteaga, GC; Barrera-Vargas, M; de Haro, MJ; Fernandez, A
Materials Today Sustainability, 19 (2022) 100166

The main raw material for manufacture of paper is cellulose fibers that can be virgin or recycled. Globally, 70% of the Tetra Pak packages sold are not recycled and remain as unused wastes. Therefore, the development of alternatives to promote greater recycling and sustainable use of these packages is of great interest. In this study, the formation of precipitated calcium carbonates (PCC) in the presence of carboxymethyl cellulose (CMC) is studied at different temperatures, and the morphologically diverse particles obtained are explored as filler for composites based on cellulosic fibers recovered from Tetra Pak containers. It was found that the addition of filler does not lead to deterioration of either tensile strength or thermal and stability of the obtained composite samples. Results also suggest that the morphological diversity of the filler contributes to a more efficient filling of the interfibrillar spaces of cellulosic fibers and, in turn, to the fiber and filler compatibility.


November, 2022 | DOI: 10.1016/j.mtsust.2022.100166

 

 

 

 

 

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