Artículos (Instituto de Ciencia de Materiales de Sevilla (ICMS) – CIC Cartuja)

URI permanente para esta colecciónhttps://hdl.handle.net/11441/10964

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  • Acceso abiertoArtículo
    Construction of cellulose nanofiber-Ti3C2Tx MXene/silver nanowire nanocomposite papers with gradient structure for efficient electromagnetic interference shielding
    (Springer Nature, 2024-02-16) Zhao, Yao; Miao, Baoji; Nawaz, Muhammad Asif; Zhu, Quinsong; Chen, Qiuling; Ramírez Reina, Tomás; Arsalan, Muhammad; Química Inorgánica; Colleges and Universities in Henan Province; Henan Provincial Science and Technology; Zhengzhou Science and Technology Bureau
    With the widespread application of communication equipment with electromagnetic signal transmission to cause electromagnetic radiation pollution, there is an urgent need for high-performance electromagnetic shielding materials. Here, an ultrathin, flexible, alternating multilayered, and conductive gradient-structured cellulose nanofiber–MXene/silver nanowire (CNF-MXene/AgNW) nanocomposite paper with high mechanical strength, strong electromagnetic interference (EMI) shielding, and outstanding thermal management was constructed via the alternating vacuum filtration (AVF) process. The extensive hydrogen bonding interactions between MXene, CNF, and AgNW enhance the interfacial adhesion and conductive synergy between layers, resulting in excellent tensile strength of 194.3 MPa and fracture strain of 7.62% of nanocomposite paper. The alternating conductive gradient structure of the nanocomposite paper greatly increases the interlayer multiple reflections and absorption of electromagnetic waves, resulting in a high conductivity of 3237.35 S cm−1 and excellent electromagnetic shielding efficiency of 65.4 dB for the nanocomposite paper. Under an external low voltage of 3 V, the surface temperature of the nanocomposite paper reaches 107.2 ℃ within 10 s and can be stable for a long time. These results indicate that CNF-MXene/AgNW nanocomposite paper with a conductive gradient structure has potential applications in the fields of aerospace, communication engineering, and wearable devices.
  • Acceso abiertoArtículo
    Reforming of biomass-derived producer gas using toluene as model tar: Deactivation and regeneration studies in Ni and K-Ni catalysts
    (Elsevier, 2024-04-15) Azancot Luque, Lola de las Aguas; González Castaño, Míriam; Bobadilla Baladrón, Luis Francisco; Centeno Gallego, Miguel Ángel; Odriozola Gordón, José Antonio; Química Inorgánica; Ministerio de Economía y Competitividad (MINECO). España; Universidad de Sevilla
    Within the syngas production from biomass gasification, tar removal constitutes a chief issue to overcome for advanced catalytic systems. This work investigates the performance of Ni and Ni–K catalysts for reforming of derived-biomass producer gas using toluene as model tar. At 750 °C and 60Lg−1h−1, the stability test (70 h) revealed stable performances (CO2, CH4 and C7H8 conversions of 60, 95 and 100%, correspondingly) uniquely for the Ni–K catalyst. Although the efficient protection towards coking let by K was demonstrated, TPO studies over the post-reacted systems still evidenced the presence of carbon deposits for both samples. Conducting three successive reaction/regeneration cycles with different gasifying agents (air, steam and CO2) at 800 °C for 1h, the capability towards regeneration of both catalytic systems was assessed and the spent catalysts were characterized by XRD, SEM and TEM. While none of the regeneration treatments recovered the performance of the unpromoted catalyst, the Ni–K catalysts demonstrated the capability of being fully regenerated by air and CO2 and exhibited analogous catalytic performances after a series of reaction/regeneration cycles. Hence, it is proved that the addition of K into Ni catalysts not only enhances the resistance against deactivation but enables rather facile regenerative procedures under certain atmospheres (air and CO2).
  • Acceso abiertoArtículo
    Novel heterostructured NaTaO3/WO3 systems with improved photocatalytic properties for water decontamination under UV and Visible illumination
    (Springer Nature, 2024-05-09) Hernández-Laverde, M.; Murcia, J. J.; Navío Santos, José Antonio; Hidalgo López, Carmen; Química Inorgánica; Ministerio de Ciencia e Innovación (MICIN). España; Ministerio de Salud y Proteccion Social de Colombia; Universidad Pedagogica y Tecnologica de Colombia (UPTC)
    In this work, we present the preparation of NaTaO3/WO3 systems, a broad-bandgap and a narrow-bandgap semiconductor, respectively, for photocatalytic applications. The samples were prepared by two different methods, microwave-assisted and conventional hydrothermal method, with different NaTaO3/WO3 molar ratios. All samples were extensively characterized, and the photocatalytic behavior was studied in the degradation reaction of rhodamine B under simulated solar illumination. A significant synergistic effect in the coupling of the two components could be observed, with an important improvement in the rhodamine degradation rate, especially for the microwave-prepared sample with 1:1 (NaTaO3/WO3) molar ratio. The enhancement of the activity can be explained by the formation of type II and Z-Scheme heterojunctions. The obtained results are promising for the development of more efficient photocatalyst materials under solar or visible illumination.
  • Acceso abiertoArtículo
    New insights for valorization of polyolefins/light alkanes: catalytic dehydrogenation of n-alkanes by immobilized pincer-iridium complexes
    (Royal Society of Chemistry (RSC), 2024-06-03) Centeno Vega, Ignacio; Megías Sayago, Cristina; Ivanova, Svetlana; Química Inorgánica
    This scientific review delves into the innovative realm of polyolefins/light alkanes valorization through their catalytic dehydrogenation employing pincer-ligated iridium organometallic complexes. These widely studied catalysts exhibit outstanding properties, although the intrinsic characteristics of homogeneous catalysis (such as challenging product–catalyst separation, poor applicability to continuous-flow processes and low recyclability) limit their activity and industrial application, as well as their thermal stability. Through the immobilization of complexes on inorganic supports, these downsides have been bypassed, harnessing the true potential of these catalysts, affording more selective and stable catalysts in addition to facilitating their implementation in industrial processes. The findings described herein contribute to the advancement in the understanding of catalytic processes in hydrocarbon transformations, offering promising avenues for sustainable and selective production of valuable chemical intermediates from readily available feedstocks.
  • Acceso abiertoArtículo
    Solar pilot plant scale hydrogen generation by irradiation of Cu/TiO2 composites in presence of sacrificial electron donors
    (Elsevier, 2018-08-05) Maldonado, M. I.; López Martín, Ángeles; Colón, G.; Peral, J.; Martínez-Costa, J. I.; Malato, S.; Química Inorgánica; Ministerio de Economía y Competitividad (MINECO). España
    A Cu/TiO2 photocatalyst has been synthesised by reducing a Cu precursor with NaBH4 onto the surface of a sulphate pretreated TiO2 obtained by a sol-gel procedure. The catalyst, that shows a clearly defined anatase phase with high crystallinity and relatively high surface area, and contains Cu2O and CuO deposits on its surface, has been used to produce hydrogen in a solar driven pilot plant scale photocatalytic reactor. Different electron donor aqueous solutions (methanol, glycerol, and a real municipal wastewater treatment plant influent) have been tested showing similar or even higher energy efficiency than those obtained using more expensive noble metal based photocatalytic systems. The glycerol solutions have provided the best reactive environments for hydrogen generation.
  • Acceso abiertoArtículo
    AgBr and Ag3PO4 Coupled with TiO2 as Active Powder Photocatalysts and Glass Coatings
    (MDPI, 2025-11-23) Murcia, J. J.; Marín-Polanco, P.; Hernández-Laverde, M.; Puga, F.; Navío Santos, José Antonio; Hidalgo, M. C.; Brijaldo, M.; Química Inorgánica; Ministerio de Ciencia, Tecnología e Innovación. Colombia; Ministerio de Salud y Protección Social. Colombia; Universidad Pedagógica y Tecnológica de Colombia (UPTC).
    In this work, different materials based on TiO2 coupled with either AgBr or Ag3PO4 were synthesized. The Ag3PO4(50%)/TiO2 powder photocatalyst prepared by deposition–precipitation method showed higher antimicrobial activity than the bare TiO2 and also than the same coupled powder obtained by sol–gel method. This material achieved 100% E. coli, coliforms, and other enterobacteria elimination. The high bactericidal efficiency of this material could be attributed to the improved properties obtained by coupling Ag3PO4 and TiO2, such as high absorption in the visible region, low band-gap value, and high surface hydroxylation. The sol–gel method was chosen for the production of photocatalytic coatings on borosilicate glass tubes based on TiO2 and Ag3PO4/TiO2 materials due to the ease of its preparation procedure and its suitability for dip coating. In this series, the most effective elimination of E. coli, coliforms, and other enterobacteria was achieved with the glass tubes coated with the laboratory–prepared TiO2 sol. Interestingly, this material presented superior antimicrobial performance as coating (100% of E. coli elimination) compared to its powder form. The titania coating also showed the best efficiency in the degradation of methylene blue (i.e., 95.2%), though this material lost 30% of its photoactivity after four reaction cycles.
  • Acceso abiertoArtículo
    Structural and electronic modulation by Ce-doping in MOF-derived In2O3@CeO2-ZrO2 catalysts for CO2 hydrogenation
    (Elsevier, 2026-01-01) Bracciotti, Edoardo; Salusso, Davide; López-Luque, Iván; Bertinetti, Stefano; Luque-Álvarez, Ligia A.; Bobadilla Baladrón, Luis Francisco; Prieto, Gonzalo; Moliner, Manuel; Bordiga, Silvia; Rojas-Buzo, Sergio; Química Inorgánica; European Union (UE); Ministerio de Ciencia e Innovación (MICIN). España
    Indium oxide (In2O3) has emerged as a promising catalyst for CO2 hydrogenation to methanol due to its exceptional selectivity compared with conventional Cu-based systems, which typically yield undesired by-products despite higher conversion rates. However, the reduction of In2O3 under reaction conditions limits its long-term stability, motivating the development of robust oxide supports. In this work, we present a systematic study on the influence of cerium concentration in CeO2–ZrO2 supports on the performance of In2O3-based catalysts. A series of In2O3@Ce(100−x)Zrx materials were synthesized via a scalable and reproducible MOF-templated approach using UiO-66(Ce/Zr) precursors and subsequent calcination. Comprehensive characterization by in situ PXRD, XAS and H2-TPR revealed that low cerium incorporation (≈5 %) promotes unique Ce-Zr-In interfacial interactions, enhancing indium oxide dispersion and suppressing its reduction to metallic indium. Catalytic tests under CO2 hydrogenation conditions (25 bar, 513–573 K) demonstrated unprecedented methanol selectivity and stability for the low-Ce composition. These findings highlight the critical role of controlled Ce doping in tuning the structural and electronic properties of CeO2–ZrO2 supports and demonstrate the scalability of MOF-derived synthesis routes for designing next-generation catalysts for sustainable methanol production
  • Acceso abiertoArtículo
    Process parameters' influence on integrated CO2 capture and methanation: finding optimal conditions by Bayesian optimisation
    (IOP Publishing, 2025-12-31) Gharamaleki, Soudabeh Bahrami; Short, Michael; Ramírez Reina, Tomás; Duyar, Melis S.; Química Inorgánica; European Union (UE). H2020
    Process parameters can significantly influence the performance of dual functional materials (DFMs) in CO₂ capture and methanation applications. In this experimental and computational optimisation study, the effects of temperature, CO₂ concentration, H₂ concentration, adsorption time, hydrogenation time, and weight hourly space velocity (WHSV) on CO₂ capture and its subsequent hydrogenation to methane were investigated for a 15%Ni1%Ru,10%Ca/Al₂O–CeO₂ DFM. Results from the parametric analysis indicate that temperature, hydrogen concentration, hydrogenation time, and WHSV markedly affect methane yield. In contrast, adsorption time and CO₂ concentration exert relatively limited influence. Further insights obtained through hybrid Gaussian process modelling and Bayesian optimisation demonstrate that determining the optimal process parameters is challenging due to the trade-off between hydrogen consumption and methane production. Nonetheless, by employing a human-in-the-loop optimisation approach, optimal conditions were identified and experimentally validated as: temperature, of both adsorption and conversion steps, 374 °C, hydrogenation time of 16 min, and a WHSV of 14 l g−1h−1 for both adsorption and conversion steps, with a 10% increase in methane production at optimal conditions. Under these conditions, methane production reached 345.44 μmol gDFM−1. This study demonstrates the power of computational approaches to speed up process optimisation and design of DFMs for improved future integrated carbon capture and utilisation applications.
  • Acceso abiertoArtículo
    Photo-assisted degradation of rhodamine B with H2O2: Kinetics, modern machine learning prediction, and insights into a novel iron oxide catalyst
    (Elsevier, 2025-08-29) Zahi, Salah Eddine; Hidalgo, M. C.; Navío Santos, José Antonio; Heddam, Salim; Yacine, Kerchich; Química Inorgánica; Ministerio de Ciencia e Innovación (MICIN). España; Agencia Estatal de Investigación. España
    This study introduces a dual strategy that combines kinetic modeling and advanced machine learning (ML) models to enhance the prediction and optimization of Rhodamine B (RhB) degradation using an H2O2/UV system. As a novel scientific contribution, we report the first-time synthesis of an iron-based catalyst, integrating α-Fe2O3 with structural ions (SO₄2−, OH−, Cl−), synthesized via a microwave-assisted hydrothermal method, a rapid and energy-efficient approach conducive to scalability. The synthesized catalyst was thoroughly characterized by XRD, FTIR, SEM-EDX, XPS and BET, confirming its crystalline integrity, surface richness, and robust textural properties. In the machine learning analysis, CatBoost regression outperformed XGBoost, ERT, and GPR, delivering the highest predictive accuracy for RhB degradation under varying operational conditions of H2O2/UV. SHAP (SHapley Additive exPlanations) interpretation revealed that reaction time held the greatest predictive importance, followed by the initial concentrations of H2O2 and RhB. Experimental results showed that the α-Fe2O3 catalyst consistently achieved complete RhB discoloration within 60 min under illuminated conditions, demonstrating exceptional photocatalytic activity. Most interestingly, the integration of the catalyst with H2O2, under both dark and illumination conditions (heterogeneous Fenton and photo-Fenton processes), resulted in complete RhB discoloration in as little as 1 min. Overall, this work highlights the transformative potential of ML-assisted process design in environmental catalysis and introduces a robust, scalable iron-based material, for water treatment applications, particularly in scenarios with variable light expos
  • Acceso abiertoArtículo
    Unveiling the potential of CaO-modified ZnO adsorbents for CO2 capture
    (Elsevier, 2025-08-15) Goksu, Ali; Carrasco Ruiz, Sergio; Ramírez Reina, Tomás; Duyar, Melis Seher; Química Inorgánica; University of Surrey, United Kingdom; Engineering and Physical Sciences Research Council (EPSRC)
    Intermediate-high temperature adsorbents are of interest as they can be used in process intensification and integrated CO2 capture and conversion processes to couple gas separation with a chemical reaction. Herein we develop CaO-modified ZnO as a new intermediate-high temperature CO2 adsorbent and show that the extent of CaO doping allows tuning of the CO2 adsorption/desorption temperature as well as capture capacity. Five different adsorbents were synthesized with Ca loadings of 0 %, 1 %, 5 %, 10 %, and 15 % by weight on ZnO and tested via fixed bed reactor experiments and TGA-DSC. The highest adsorption capacity was found to be 0.73 mmol/gcat for 5 %Ca/ZnO. The desorption temperatures for CO2 was found to also be influenced by Ca loading. Adsorbents were characterised by XRD, SEM, TGA, BET and ICP-MS, to understand their structure it was determined that CaO deposits on ZnO pores as separate domains. Herein we develop CaO-modified ZnO as a novel intermediate-high temperature CO₂ adsorbent, demonstrating tuneable adsorption/desorption characteristics through CaO dispersion on a ZnO scaffold.
  • Acceso abiertoArtículo
    TiO2-modified bentonite as a cost-effective support for nickel-based catalysts in dry reforming of methane
    (Springer, 2025-07-30) Boudiaf, Meriem; Holgado, Juan P.; Halliche, Djamila; Caballero Martínez, Alfonso; Química Inorgánica; Junta de Andalucía; Ministerio de Ciencia e Innovación (MICIN). España
    The potential of TiO2-modified bentonite as a cost-effective support for nickel-based catalysts in the dry reforming of methane (DRM) is highlighted. The comparison of a nickel catalyst supported on natural bentonite and one prepared on TiO2-modified bentonite revealed a significantly different behavior between the two catalysts under diluted and concentrated DRM reaction conditions. The unmodified bentonite catalyst, 15Ni/Na-Bent, exhibits high activity under diluted conditions (20CH4:20CO2:60He) but deactivates quickly under concentrated DRM conditions (40CH4:40CO2:20He). On the other hand, 15Ni/TiO2-Bent is less active at diluted conditions but demonstrates superior stability and activity in concentrated conditions. In situ XPS analysis of the O 1s, Al 2p, Si 2p, and Ti 2p regions of the calcined, reduced, and post-DRM samples revealed that TiO2 stabilizes the clay structure and prevents nickel reoxidation. The formation of TiO2-x species after reduction creates oxygen vacancies that trap oxidizing species in the reaction medium, thus limiting nickel reoxidation and reducing carbon deposition on the surface. Moreover, these TiO2-x species migrate to the nickel surface, forming a thin protective layer that partially encapsulates the nickel, improving metal–support interactions and providing resistance against sintering and reoxidation. In addition to XPS spectroscopy, which provided insights into the nature of the metal–support interactions in the 15Ni/Na-Bent and 15Ni/TiO2-Bent catalysts, the materials were also characterized using XRF, XRD, SEM, BET, TPR-H2, and Raman spectroscopy. These techniques offered complementary structural, textural, and morphological information, leading to a more comprehensive understanding of the catalysts’ physicoch emical properties.
  • Acceso abiertoArtículo
    Refractive Index and Strain Modulation Tailor the Afterglow of Nanocomposite Films
    (American Chemical Society, 2025-10-23) Castaing, Victor; Romero, Manuel; Drion, Théophile; Fernández Carrión, Alberto José; Lozano, Gabriel; Míguez, Hernán; Química Inorgánica; Ministerio de Ciencia e Innovación (MICIN). España; European Union (UE); Ministerio de Ciencia, Innovación y Universidades (MICIU). España
    Tailoring the unique delayed and long-lasting luminescence of persistent phosphors is crucial for their application in anticounterfeiting, data storage, imaging displays, and AC-driven lighting. We introduce a novel strategy to achieve this by modifying the refractive index of persistent phosphor transparent coatings. Specifically, we developed ZnGa2O4:Cr3+/SiO2 nanocomposite films with tunable refractive indices from 1.45 to 1.7. This tunability allowed us to precisely control the Cr3+ radiative decay rate, resulting in a substantial 1.7-fold increase in both luminescence and afterglow brightness. Furthermore, our approach uniquely influences the intrinsic charging rate of the phosphor, a mechanism attributed to the strain induced on the ZnGa2O4:Cr3+ nanocrystals by the presence of SiO2. This work demonstrates an unprecedent ability to manipulate the afterglow kinetics without altering the material composition, opening new avenues for designing and optimizing persistent luminescence materials
  • Acceso abiertoArtículo
    Integrated carbon capture and dry reforming of methane of mechanochemically synthesised dual-function materials
    (Royal Society of Chemistry, 2025-08-14) Merkouri, Loukia Pantzechroula; Danielis, Maila; Braga, Andrea; Ramírez Reina, Tomás; Trovarelli, Alessandro; Colussi, Sara; Duyar, Melis S.; Química Inorgánica; Engineering and Physical Sciences Research Council (UK)
    Herein we report a green mechanochemical synthesis with low energy input of dual-function materials for integrated CO2 capture and dry reforming of methane. The materials produced syngas during the CH4 step (up to 0.6 mmol g−1 CO and 7.7 mmol g−1 H2) and CO during the CO2 step (up to 3.1 mmol g−1) via the reverse Boudouard reaction due to the carbon produced from CH4 cracking.
  • Acceso abiertoArtículo
    Porous Cu thin films prepared by magnetron sputtering using helium as depositing gas
    (Elsevier, 2025-10-23) Arzac Di Tomaso, Gisela Mariana; López Viejobueno, Jennifer; Calvo, Mauricio E.; Ferrer Fernández, Francisco Javier; Fortio Godinho, Vanda Cristina; Hufschmidt, Dirk; Jiménez de Haro, María del Carmen; Ramírez Rico, Joaquín; Varela, Francisco; Fernández, Asunción; Física Atómica, Molecular y Nuclear; Física de la Materia Condensada; Ministerio de Ciencia e Innovación (MICIN). España; Agencia Estatal de Investigación. España
    In this work, porous copper thin films were prepared by magnetron sputtering (MS) deposition using helium as the process gas. Electron microscopy techniques were used to study the shape, size, amount and distribution of the pores. Working under direct current (DC) or radiofrequency (RF) conditions, enabled to achieve respectively a dense porous or an open porous columnar microstructure. At the nanoscopic level a characteristic solid-gas nanocomposite structure was also produced in both films. Spherical and faceted nano-bubbles filled with helium, with a size range of 1–22 nm and a uniform distribution across the entire thickness were visualized. RF conditions allowed higher gas loading, achieving up to 6.2 at.% He preferentially occluded in smaller pores. Characterization revealed that the RF-deposited copper (Cu) film is oxidised to a greater depth than the DCdeposited film, forming a thicker copper oxide(s) layer. This phenomenon can be attributed to the open porous nanostructure of the former. The results presented herein improve our understanding of MS deposition of copper with helium as process gas and pave the way for designing a wide range of materials with applications in the field of fusion reactors, (electro)catalysis, photocatalysis, fuel cells, electronics and the fabrication of negative crystals.
  • Acceso abiertoArtículo
    Enhanced Luminous Transmission and Solar Modulation in Thermochromic VO2Aerogel-like Films via Remote Plasma Deposition
    (American Chemical Society, 2025-09-22) Obrero, José Manuel; Moreno Martínez, Gloria P.; Rojas Ruiz, Teresa Cristina; Ferrer Fernández, Francisco Javier; Moscoso, Francisco G.; Contreras-Bernal, Lidia; Castillo Seoane, Javier; Núñez Gálvez, Fernando; Aparicio Rebollo, Francisco Javier; Borrás Martos, Ana Isabel; Sánchez Valencia, Juan Ramón; Barranco Quero, Ángel; Física Atómica, Molecular y Nuclear; Química Física; Física Aplicada I; Ministerio de Ciencia e Innovación (MICIN). España; European Union (UE); Junta de Andalucía; Consejo Superior de Investigaciones Científicas (CSIC)
    Vanadium dioxide (VO2) is a thermochromic material that undergoes a phase transition from a monoclinic semiconducting state to a rutile metallic state at 68 °C, a temperature close to room temperature. This property makes VO2 particularly valuable in applications such as optical and electrical switches, data storage, neuromorphic computing, and remarkably dynamic smart windows for solar radiation control. VO2 typically needs to be synthesized for these applications as nanostructured thin films. Over the past few decades, significant efforts have been made to control the thermochromic properties of VO2 through crystal structure tuning, doping, and the development of VO2 nanocomposites. Additionally, introducing nano- and mesoporosity has been shown to enhance the optical properties of thermochromic VO2 films. This study presents a methodology for producing highly porous, aerogel-like V2O5 films, which can be thermally processed to form aerogel-like VO2 films. This process is based on sequential plasma polymerization and plasma etching to produce aerogel-like V2O5 films that are annealed to yield ultraporous nanocrystalline VO2 films. The sacrificial vanadium-containing plasma polymers are obtained by remote plasma-assisted vacuum deposition (RPAVD) using vanadyl porphyrin as a precursor and Ar as plasma gas. Additional reference compact films VO2 films are obtained by a direct RPAVD process using the same precursor and oxygen plasmas in combination with thermal annealing. The aerogel-like VO2 films show exceptional thermochromic performance with luminous transmittances higher than 54%, solar modulation up to 18.8%, and IR modulation up to 35.5%. The presented plasma methodology is versatile, allowing both the synthesis of VO2 plasmonic structures to enhance the thermochromic response and the encapsulation of films to improve their stability in air dramatically. Additionally, this solvent-free synthetic method is fully compatible with doping procedures, scalable, and holds great potential for designing and optimizing smart window coatings.
  • Acceso abiertoArtículo
    Plasmonic nanoparticles boost low-current perovskite LEDs governed by photon recycling effects
    (Royal Society of Chemistry, 2025-09-08) Bueno, Jaime; Jiménez Solano, Alberto; Anaya Martín, Miguel; Carretero Palacios, Sol; Física de la Materia Condensada; Ministerio de Ciencia, Innovación y Universidades (MICIU). España; Agencia Estatal de Investigación. España; European Union (UE)
    Perovskite light-emitting diodes (PeLEDs) have emerged as a promising technology for next-generation display and lighting applications, thanks to their remarkable colour purity, tunability, and ease of fabrication. In this work, we explore the incorporation of plasmonic spherical nanoparticles (NPs) directly embedded into the green-emitting CsPbBr3 perovskite layer in a PeLED as a strategy to enhance both its optical and electrical properties. We find that plasmonic effects directly boost spontaneous emission while also influencing charge carrier recombination dynamics. We present a rigorous theoretical electro-optical analysis to systematically investigate the impact of NP metal, size, and concentration on device performance, with particular emphasis on the role of photon recycling (PR). Our results demonstrate that embedding carefully designed silver (Ag) NPs, selected through rigorous theoretical modelling, into PeLEDs leads to enhanced device performance across a wide range of operating currents. Notably, we observe a 4-fold improvement in external quantum efficiency (EQE) at injection currents as low as 0.02 mA cm−2, and a 2-fold enhancement at 0.2 mA cm−2, attributed to increased radiative recombination. Furthermore, results suggest improved efficiency retention at higher injection levels, pointing to reduced current roll-off limitations and extended high-brightness operation. Additionally, PR plays a crucial role in mitigating optical losses and improving outcoupling efficiency, especially in plasmonic-enhanced systems, where scattering effects increase the prevalence of trapping states. These findings open up exciting possibilities for devices requiring energy-efficient, compact, and high-performance light sources, such as portable electronics and low-power displays.
  • Acceso abiertoArtículo
    Metal-organic frameworks as potential materials for X-ray detectors: recent progress and unique opportunities
    (Royal Society of Chemistry, 2025-07-08) Salway, Hayden; Chua, Xian Wei; Anaya Martín, Miguel; Física de la Materia Condensada; Engineering and Physical Sciences Research Council (UK); Ministerio de Ciencia, Innovación y Universidades (MICIU). España; Agencia Estatal de Investigación. España; European Union (UE)
    X-ray detectors and scintillators play a crucial role in society, with extensive applications in scientific research, security, manufacturing quality control, and medical imaging, including general radiography, computed tomography, and positron emission tomography. With aging populations globally, the demand for medical imaging is steadily growing, necessitating accessible and affordable X-ray technologies that can provide higher image quality with minimal radiation dosage. Existing commercial technologies possess several drawbacks, including slow response times, poor radioluminescence efficiencies, limited tunability range of X-ray energies, and reliance on costly and energy-intensive production processes. Metal–organic frameworks (MOFs) have recently attracted attention as promising materials for a new generation of X-ray detectors and scintillators that can revolutionise low-dose and high-throughput medical and security imaging and enable unique applications. In this work, we discuss the underlying mechanisms and recent progress made in MOF-based X-ray detectors and scintillators, and examine their unique potential to outperform existing technologies. This review delves into the advancements of metal organic framework X-ray detectors, exploring their fundamental mechanisms, current performance metrics, and highlighting the unique opportunities MOFs provide to surpass the limitations of existing technologies and create new applications. Future research endeavours in the wider scientific community will persist in pushing the boundaries of sensitivity, leading to improved image clarity and decreased radiation exposure for patients, with MOF’s chemical versatility providing substantial promise for developing the next generation of X-ray detectors. In this work, we first provide an overview of current state-of-the-art MOF X-ray detector performances in terms of key figures of merit. Furthermore, we discuss methods used to enhance performance in MOF detectors and their scalability into full-imaging arrays. The review then expands on the unique multi-functionality of MOFs which promises utility in various fields, including bioimaging, drug delivery and radioactive gas detection, alongside classical applications in medical and security imaging. The advancement of economical manufacturing methods and morphological adaptability of MOFs will also play a crucial role in meeting the increasing demand for imaging, making vital healthcare and security X-ray technologies more accessible to society.
  • Acceso abiertoArtículo
    Low-Temperature Remote Plasma Synthesis of Highly Porous TiO2 as Electron Transport Layers in Perovskite Solar Cells
    (Wiley, 2025-10-21) Obrero Pérez, José M.; Núñez Gálvez, Fernando; Contreras Bernal, Lidia; Castillo Seoane, Javier; Moreno, Gloria P.; Czermak, Triana; Aparicio Rebollo, Francisco Javier; Rojas, Teresa C.; Ferrer Fernández, Francisco Javier; Borras, Ana; Barranco, Ángel; Sánchez Valencia, Juan Ramón; Química Física; Física Atómica, Molecular y Nuclear; Ministerio de Ciencia e Innovación (MICIN). España; Agencia Estatal de Investigación. España; European Union (UE)
    Halide perovskite solar cells (PSCs) offer high efficiency at low productioncosts, making them a promising solution for future photovoltaic technologies.Optimizing charge transport layers is crucial, with porous TiO2 widely used aselectron transport layers (ETLs) due to their suitable energy band alignment,transparency, and abundance. However, their performance dependsstrongly on crystallinity, requiring high-temperature processing (>450 °C),which increases costs and limits their applicability on flexible substrates.Low-temperature wet-chemical methods face scalability issues due tomaterial waste and hazardous solvents. Therefore, plasma-based technologiesprovide a scalable, eco-friendly alternative for fabricating oxide-based ETLs.This study presents a plasma-based synthesis of TiO 2 layers using remoteplasma-assisted vacuum deposition (RPAVD) and soft plasma etching (SPE)at temperatures below 200 °C, enabling precise control over microstructureand porosity. The resulting nanocolumnar and aerogel-like TiO2films are antireflective and enhance optical and electronic properties, leadingto improved PSC efficiency (champion PCE = 14.6%) comparable to high-temperature processed devices. The devices are based on a 3D organometalperovskite with mixed cations (MA, FA, Cs, Rb) and halides (I, Br), witha nominal composition of (Rb 0.03 Cs0.03 FA0.69 MA0.25 )(PbI 3 )0.83 (PbBr 3 )0.17 . Ourresults highlight the potential of RPAVD+SPE for producing low-temperatureETLs, offering a feasible, industrially scalable solution for flexible,high-performance photovoltaics.
  • Acceso abiertoArtículo
    Novel solid 4 He targets for experimental studies on nuclear reactions: 6 Li + 4 He differential cross-section measurement at incident energy of 5.5 MeV
    (Springer Nature, 2020-06-03) Ferrer Fernández, Francisco Javier; Fernández Martínez, Begoña; Fernández García, Juan Pablo; Barba, F. G.; Fernández, A.; Galaviz, D.; Fortio Godinho, Vanda Cristina; Gómez Camacho, Joaquín José; Sánchez-Benítez, A. M.; Física Atómica, Molecular y Nuclear; Ministerio de Ciencia, Innovación y Universidades (MICIU). España; Consejo Superior de Investigaciones Científicas (CSIC)
    A specially prepared Si/He thin solid film was investigated as a suitable target for experimental studies on nuclear reactions involving He targets. For that purpose, the elastically scattered He recoil coming from the reaction Li + He at incident energy of 5.5 MeV was measured. The differential cross section of Li on He has been found to be fully consistent with previous measurements in the literature. The prospective advantages of using these solid He targets in experiments at radioactive beam facilities are discussed.
  • Acceso abiertoArtículo
    Plasma-flash sintering II: Flashing ZnO at room temperature using low AC voltage
    (Wiley, 2025-11) Gil González, Eva; Manchón Gordón, Alejandro F.; Perejón Pazo, Antonio; Sánchez Jiménez, Pedro Enrique; Pérez Maqueda, Luis A.; Ingeniería Química; Química Inorgánica; Física de la Materia Condensada; Ministerio de Ciencia e Innovación (MICIN). España; Junta de Andalucía
    In this study, we have advanced the plasma-flash sintering (PFS) technique by demonstrating the preparation of dense ZnO ceramics at room temperature using a moderate electric field of 250 V cm−1 under a low-pressure nitrogen atmosphere. This specific environment facilitates the sequential occurrence of plasma generation followed by the flash sintering event. Compared to traditional flash sintering technique, our approach significantly reduces both energy consumption and processing time, while eliminating the need for a furnace. Impedance spectroscopy confirms that ZnO ceramic produced via this method exhibits enhanced electrical conductivity. Hence, PFS is shown to be a potential tool for tuning the electrical properties of sintered materials at room temperature while boosting energy efficiency.