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Scientific Papers in SCI



2022


Nanotecnología en Superficies y Plasma - Tribología y Protección de Superficies

Compositional gradients at the nanoscale in substoichiometric thin films deposited by magnetron sputtering at oblique angles: A case study on SiOx thin films

Garcia-Valenzuela, A; Alcaide, AM; Rico, V; Ferrer, FJ; Alcala, G; Rojas, TC; Alvarez, R; González-Elipe, AR; Palmero, A
Plasma Processes and Polymers (2022) e2100116

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We demonstrate the existence of stoichiometric variations at the nanoscale when growing nanocolumnar SiOx thin films by reactive magnetron sputtering deposition at oblique angles. Results show stoichiometric variations in the range 0.3 < x < 1.3 when growing a SiO0.5 thin film. This agrees with results from a numerical growth model that obtains a shift of the stoichiometry in all nanocolumns from lower values at the side facing the Si target to higher values at the opposite side. The different momentum distribution of the gaseous reactive and sputtered species results in preferential incorporation of the latter at a particular side of the nanocolumns. The general occurrence of this mechanism during the reactive magnetron sputtering deposition of substoichiometric thin films at oblique angles is discussed.


January, 2022 | DOI: 10.1002/ppap.202100116

Materiales de Diseño para la Energía y Medioambiente

The Response of Tomato Fruit Cuticle Membranes Against Heat and Light

Benitez, JJ; Moreno, AG; Guzman-Puyol, S; Heredia-Guerrero, JA; Heredia, A; Dominguez, E
Frontiers in Plant Science, 12 (2022) 807723

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Two important biophysical properties, the thermal and UV-Vis screening capacity, of isolated tomato fruit cuticle membranes (CM) have been studied by differential scanning calorimetry (DSC) and UV-Vis spectrometry, respectively. A first order melting, corresponding to waxes, and a second order glass transition (T-g) thermal events have been observed. The glass transition was less defined and displaced toward higher temperatures along the fruit ripening. In immature and mature green fruits, the CM was always in the viscous and more fluid state but, in ripe fruits, daily and seasonal temperature fluctuations may cause the transition between the glassy and viscous states altering the mass transfer between the epidermal plant cells and the environment. CM dewaxing reduced the T-g value, as derived from the role of waxes as fillers. T-g reduction was more intense after polysaccharide removal due to their highly interwoven distribution within the cutin matrix that restricts the chain mobility. Such effect was amplified by the presence of phenolic compounds in ripe cuticle membranes. The structural rigidity induced by phenolics in tomato CMs was directly reflected in their mechanical elastic modulus. The heat capacity (Cp-rev) of cuticle membranes was found to depend on the developmental stage of the fruits and was higher in immature and green stages. The average Cp-rev value was above the one of air, which confers heat regulation capacity to CM. Cuticle membranes screened the UV-B light by 99% irrespectively the developmental stage of the fruit. As intra and epicuticular waxes contributed very little to the UV screening, this protection capacity is attributed to the absorption by cinnamic acid derivatives. However, the blocking capacity toward UV-A is mainly due to the CM thickness increment during growth and to the absorption by flavone chalconaringenin accumulated during ripening. The build-up of phenolic compounds was found to be an efficient mechanism to regulate both the thermal and UV screening properties of cuticle membranes.


January, 2022 | DOI: 10.3389/fpls.2021.807723

Materiales Ópticos Multifuncionales

Molecular Interface Engineering via Triazatruxene-Based Moieties/NiOx as Hole-Selective Bilayers in Perovskite Solar Cells for Reliability

Hemasiri, NH; Calio, L; Pegu, M; Kazim, S; Ahmad, S
Solar RRL (2022) 2100793

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Interface engineering is an effective approach to decrease nonradiative recombination and the energy barrier at the perovskite/hole transporting layer (HTL) interfaces. To overcome such limitations, an organic semiconductor (DTT-EHDI2) is proposed, which is, composed of dithienothiophene (DTT) as the core and a planar triazatruxene incorporating an alkyl chain as the side group. This is noted to be an effective interfacial layer for inverted planar perovskite solar cells (PSCs). The altered interface effectively minimizes the detrimental charge recombination and tailors the photoinduced charge transfer dynamics at the interface of the inorganic HTL/perovskite. The pi-conjugation in DTT-EHDI2 induces high hole mobility and electrical conductivity via electron-donating properties and strong pi-pi intermolecular interaction. The synergetic approach leads to a substantial performance enhancement in dopant-free DTT-EHDI2-based inverted planar PSCs, achieving 18.15% power conversion efficiency with negligible hysteresis effect. The present approach provides an effective direction of the cost-effective thiophene derivative as an interfacial agent to escalate the optoelectronic performances in photovoltaics.


January, 2022 | DOI: 10.1002/solr.202100793

Nanotecnología en Superficies y Plasma

Coarse-grained approach to amorphous and anisotropic materials in kinetic Monte Carlo thin-film growth simulations: A case study of TiO2 and ZnO by plasma-enhanced chemical vapor deposition

Budagosky, J; Garcia-Casas, X; Sanchez-Valencia, JR; Barranco, A; Borras, A
Plasma Processes and Polymers (2022) e2100179

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The growth of TiO2 and ZnO thin films is studied by means of coarse-grained kinetic Monte Carlo simulations under conditions typically encountered in plasma-enhanced chemical vapor deposition experiments. The basis of our approach is known to work well to simulate the growth of amorphous materials using cubic grids and is extended here to reproduce not only the morphological characteristics and scaling properties of amorphous TiO2 but also the growth of polycrystalline ZnO with a good approximation, including the evolution of the film texture during growth and its dependence on experimental conditions. The results of the simulations have been compared with available experimental data obtained by X-ray diffraction, analysis of the texture coefficients, atomic force microscopy, and scanning electron microscopy.


January, 2022 | DOI: 10.1002/ppap.202100179

Materiales Ópticos Multifuncionales

Optoelectronic Devices Based on Scaffold Stabilized Black-Phase CsPbI3 Nanocrystals

Romero-Perez, C; Rubino, A; Calio, L; Calvo, ME; Miguez, H
Advanced Optical Materials (2022) 2102112

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The optoelectronic properties of lead halide perovskites are intimately related to their crystalline phase. For the case of cesium lead iodide (CsPbI3) several polymorphs meet the Goldschmidt tolerance factor, which determines their stability, and form broad band absorber and luminescent phases. However, at room temperature none of them are stable, which prevents their use in optoelectronics. In this work, bare CsPbI3 nanocrystals are synthesized in the sub-10 nm range in the "black", light emitting, crystalline phase, using a pore controlled SiO2 matrix that limits crystal size and confers a certain degree of strain that favors their stability. Quantum confinement effects allow the tuning of the optical properties of the CsPbI3 nanocrystals by means of the crystal size. Their suitability as optoelectronic materials is demonstrated by building scaffold supported CsPbI3 quantum dot based photovoltaic and light emitting devices.


January, 2022 | DOI: 10.1002/adom.202102112

 

 

 

 

 

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