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Scientific Papers in SCI



2023


Química de Superficies y Catálisis

Process design and utilisation strategy for CO2 capture in flue gases. Technical assessment and preliminary economic approach for steel mills

Navarro, JC; Baena-Moreno, FM; Centeno, MA; Laguna, OH; Almagro, JF; Odriozola, JA
Renewable & Sustainable Energy Reviews, 184 (2023) 113537

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The steel industry is the most relevant sector in emerging economies due to its application in numerous fields. However, steel manufacturing involves large energy investment and produces significant greenhouse gas emissions. The current world economic and environmental scenario therefore necessitates that improvements in the footprint of the steel industry be made without affecting its viability. Considering the present challenge, we report two possible processes for Carbon Capture and Utilization (CCU). The first process is the competitive capture of CO2-SO2, followed by CO2 valorisation to methane. However, the CO2 capture capacity and lifetime for the adsorbent after multiple cycles could be improved through preliminary desulphurization of the gas current. The improved system demonstrates net profitability in a typical stainless steel plant. Therefore, it can be implemented in an industrial setting without profitability loss to steelmaking operations, fulfilling bot the goal of reducing CO2 emissions while protecting the mainstay of the plant.


September, 2023 | DOI: 10.1016/j.rser.2023.113537

Materiales Semiconductores para la Sostenibilidad

Understanding ice and water film formation on soil particles by combining density functional theory and Casimir-Lifshitz forces

Bostrom, M; Kuthe, S; Carretero-Palacios, S; Esteso, V; Li, Y; Brevik, I; Gopidi, HR; Malyi, OI; Glaser, B; Persson, C
Physical Review B, 108 (2023) 125434

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Thin films of ice and water on soil particles play crucial roles in environmental and technological processes. Understanding the fundamental physical mechanisms underlying their formation is essential for advancing scientific knowledge and engineering practices. Herein, we focus on the role of the Casimir-Lifshitz force, also referred to as dispersion force, in the formation and behavior of thin films of ice and water on soil particles at 273.16 K, arising from quantum fluctuations of the electromagnetic field and depending on the dielectric properties of interacting materials. We employ the first-principles density functional theory (DFT) to compute the dielectric functions for two model materials, CaCO3 and Al2O3, essential constituents in various soils. These dielectric functions are used with the Kramers-Kronig relationship and different extrapolations to calculate the frequency-dependent quantities required for determining forces and free energies. Moreover, we assess the accuracy of the optical data based on the DFT to model dispersion forces effectively, such as those between soil particles. Our findings reveal that moisture can accumulate into almost micron-sized water layers on the surface of calcite (soil) particles, significantly impacting the average dielectric properties of soil particles. This research highlights the relevance of DFT-based data for understanding thin film formation in soil particles and offers valuable insights for environmental and engineering applications.


September, 2023 | DOI: 10.1103/PhysRevB.108.125434

Nanotecnología en Superficies y Plasma

Paper-based ZnO self-powered sensors and nanogenerators by plasma technology

Garcia-Casas, X; Aparicio, FJ; Budagosky, J; Ghaffarinejad, A; Orozco-Corrales, N; Ostrikov, K; Sánchez-Valencia, JR; Barranco, A; Borras, A
Nano Energy, 114 (2023) 108686

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Nanogenerators and self-powered nanosensors have shown the potential to power low-consumption electronics and human-machine interfaces, but their practical implementation requires reliable, environmentally friendly and scalable processes for manufacturing and processing. Furthermore, the emerging flexible and wearable electronics technology demands direct fabrication onto innovative substrates such as paper and plastics typically incompatible with high process temperatures. This article presents a plasma synthesis approach for the fabri-cation of piezoelectric nanogenerators (PENGs) and self-powered sensors on paper substrates. Polycrystalline ZnO nanocolumnar thin films are deposited by plasma-enhanced chemical vapour deposition on common paper supports using a microwave electron cyclotron resonance reactor working at room temperature yielding high growth rates and low structural and interfacial stresses. Applying Kinetic Monte Carlo simulation, we elucidate the basic shadowing mechanism behind the characteristic microstructure and porosity of the ZnO thin films, relating them to an enhanced piezoelectric response to periodic and random inputs. The piezoelectric devices are assembled by embedding the ZnO films in polymethylmethacrylate (PMMA) and using Au thin layers as elec-trodes in two different configurations, namely laterally and vertically contacted devices. We present the response of the laterally connected devices as a force sensor for low-frequency events with different answers to the applied force depending on the impedance circuit, i.e. load values range, a behaviour that is theoretically analyzed. The characterization of the vertical devices in cantilever-like mode reaches instantaneous power densities of 80 nW/ cm2 with a mean power output of 20 nW/cm2. Besides, we analyze their actual-scenario performance by acti-vation with a fan and handwriting. Overall, this work demonstrates the advantages of implementing plasma deposition for piezoelectric films to develop robust, flexible, stretchable, and enhanced-performance nano-generators and self-powered piezoelectric sensors compatible with inexpensive and recyclable supports.


September, 2023 | DOI: 10.1016/j.nanoen.2023.108686

Ruthenium nanoparticles stabilized by 1,2,3-triazolylidene ligands in the hydrogen isotope exchange of E-H bonds (E = B, Si, Ge, Sn) using deuterium gas

Molinillo, P; Puyo, M; Vattier, F; Lacroix, B; Rendon, N; Lara, P; Suarez, A
Nanoscale

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A series of ruthenium nanoparticles (Ru & BULL;MIC) stabilized with different mesoionic 1,2,3-triazolylidene (MIC) ligands were prepared by decomposition of the Ru(COD)(COT) (COD = 1,5-cyclooctadiene; COT = 1,3,5-cyclooctatriene) precursor with H-2 (3 bar) in the presence of substoichiometric amounts of the stabilizer (0.1-0.2 equiv.). Small and monodisperse nanoparticles exhibiting mean sizes between 1.1 and 1.2 nm were obtained, whose characterization was carried out by means of transmission electron microscopy (TEM), including high resolution TEM (HRTEM), inductively coupled plasma (ICP) analysis and X-ray photoelectron spectroscopy (XPS). In particular, XPS measurements confirmed the presence of MIC ligands on the surfaces of the nanoparticles. The Ru & BULL;MIC nanoparticles were used in the isotopic H/D exchange of different hydrosilanes, hydroboranes, hydrogermananes and hydrostannanes using deuterium gas under mild conditions (1.0 mol% Ru, 1 bar D-2, 55 & DEG;C). Selective labelling of the E-H (E = B, Si, Ge, Sn) bond in these derivatives, with high levels of deuterium incorporation, was observed.


August, 2023 | DOI: 10.1039/d3nr02637j

Nanotecnología en Superficies y Plasma - Materiales Nanoestructurados y Microestructura

Plasmas and acoustic waves to pattern the nanostructure and chemistry of thin films

Rico, V; Regodon, GF; Garcia-Valenzuela, A; Alcaide, AM; Oliva-Ramirez, M; Rojas, TC; Alvarez, R; Palomares, FJ; Palmero, A; Gonzalez-Elipe, AR
Acta Materialia, 255 (2023) 119058

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In this work, piezoelectric AWs and plasmas have been brought together during the growth of a thin film as a novel methodology of plasma-assisted thin film structuration. The ensuing effects have been investigated on a model system where SiO2 and SiOx (x<2) thin films have been deposited by magnetron sputtering at oblique angles (MS-OAD) on an electro-acoustically excited LiNbO3 piezoelectric substrate under resonant conditions. The microstructure of the resulting films was 2D patterned and depicted submillimeter size intermingled zones with different optical characteristics, compositions (SiO2 and SiOx) and porosity, from highly porous to dense and compact regions. The 2D nanostructural pattern mimics the AW distribution and has been accounted for by means of a specific simulation model. It is concluded that the morphological and chemical film pattern replicates the distribution of polarization potential on the surface of the AW activated substrate immersed in the plasma. Moreover, we show that the main mechanism responsible for the appearance of domains with different morphology and chemical composition is the focused impingement of Ar+plasma ions on certain regions of the substrate. The general character of this patterning process, the underlying physics and its possibilities to tailor the composition and microstructure of dielectric thin film materials are discussed.


August, 2023 | DOI: 10.1016/j.actamat.2023.119058

 

 

 

 

 

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