BackExaminar por departamento (cas.) "Polímeros y Materiales Avanzados: Física, Química y Tecnología"
Now showing items 1-20 of 279
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3D Printable and Biocompatible Iongels for Body Sensor Applications
; ; ; ; ; ; ; Mecerreyes Molero, David
; ; (Wiley, 2021-08)
Soft-ionic materials with biocompatibility and 3D printability are needed to develop next-generation devices to interface between electronic and biological signals. Herein, thermoreversible and biocompatible ionic liquid ... -
A general but still unknown characteristic of active oxygen evolution electrocatalysts
(Royal Society of Chemistry, 2023-04)The unsatisfactory electrocatalysis of the oxygen evolution reaction (OER) is a major hurdle for the sustainable production of hydrogen using water electrolyzers. Besides, most state-of-the-art catalysts are based on ... -
A method to estimate the size of single-chain nanoparticles under severe crowding conditions
; ; Pomposo Alonso, José Adolfo (Royal Society of Chemistry, 2022-01-05)
[EN] Single-chain nanoparticles (SCNPs) result from the folding of isolated polymer chains via intramolecular interactions. Currently, there is no theory able to rationalize the astonishing conformational behaviour of SCNPs ... -
A perspective on ab initio modeling of polaritonic chemistry: The role of non-equilibrium effects and quantum collectivity
(AIP Publishing, 2022-06-21)This Perspective provides a brief introduction into the theoretical complexity of polaritonic chemistry, which emerges from the hybrid nature of strongly coupled light-matter states. To tackle this complexity, the importance ... -
A Review on Current Strategies for the Modulation of Thermomechanical, Barrier, and Biodegradation Properties of Poly (Butylene Succinate) (PBS) and Its Random Copolymers
Peñas Núñez, Mario Iván; Pérez Camargo, Ricardo Arpad; Hernández, Rebeca; Müller Sánchez, Alejandro Jesús (MDPI, 2022-03-03)
The impact of plastics on the environment can be mitigated by employing biobased and/or biodegradable materials (i.e., bioplastics) instead of the traditional “commodities”. In this context, poly (butylene succinate) (PBS) ... -
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A trade-off between ligand and strain effects optimizes the oxygen reduction activity of Pt alloys
(RSC, 2022-10-20)To optimize the performance of catalytic materials, it is paramount to elucidate the dependence of the chemical reactivity on the atomic arrangement of the catalyst surface. Therefore, identifying the nature of the active ... -
Ab initio many-body perturbation theory to study molecular systems: from implementation to applications
(2022-10-04)The theory describing the interaction between light and matter at nanoscale is nearly as old as quantum mechanics. Over the years, it has been shown that such theoretical models not only enable materials scientists to ... -
Ab Initio Theory of Photoemission from Graphene
(MDPI, 2021-05-03)Angle-resolved photoemission from monolayer and bilayer graphene is studied based on an ab initio one-step theory. The outgoing photoelectron is represented by the time-reversed low energy electron diffraction (LEED) state ... -
Accelerating the Curing of Hybrid Poly(Hydroxy Urethane)-Epox y Adhesives by the Thiol-Epoxy Chemistry
Gómez López, Álvaro; ; ; ; (American Chemical Society, 2022-11)
The polyaddition between dicyclic carbonates and diamines leading to poly(hydroxy urethane)s (PHUs) has emerged as the preferred method for the synthesis of green, non-isocyanate polyurethanes. However, when proposed for ... -
Accurate Relativistic Real-Time Time-Dependent Density Functional Theory for Valence and Core Attosecond Transient Absorption Spectroscopy
(American Chemical Society, 2023-02)First principles theoretical modeling of out-of-equilibrium processes observed in attosecond pump–probe transient absorption spectroscopy (TAS) triggering pure electron dynamics remains a challenging task, especially for ... -
Acoustic Plasmons in Nickel and Its Modification upon Hydrogen Uptake
(MDPI, 2022-12-28)In this work, we study, in the framework of the ab initio linear-response time-dependent density functional theory, the low-energy collective electronic excitations with characteristic sound-like dispersion, called acoustic ... -
Additive Effect on the Structure of PEDOT:PSS Dispersions and Its Correlation with the Structure and Morphology of Thin Films
(MDPI, 2021-12-30)We reported on the interaction between poly(3,4-ethylenedioxythiophene):polystyrene sulfonate (PEDOT:PSS) and high-boiling-point additives in PEDOT:PSS aqueous dispersions and in the final polymer films with the aim of ... -
Alkali metal salts based on novel anions for solid polymer electrolytes
(2021-09-13)The chemistry of the lithium salt employed plays a pivotal role in dictating the physico-chemical and electrochemical performance of any solid polymer electrolytes (SPEs), and thus also influences the performance of ... -
Anodic and Cathodic Platinum Dissolution Processes Involve Different Oxide Species
(Wiley, 2023-08)The degradation of Pt-containing oxygen reduction catalysts for fuel cell applications is strongly linked to the electrochemical surface oxidation and reduction of Pt. Here, we study the surface restructuring and Pt ... -
Anomalous magnetic behavior in half-metallic Heusler Co2FeSi alloy glass-coated microwires with high Curie temperature
Salaheldeen, Mohamed; ; Corte León, Paula ; ; Zhukova Zhukova, Valentina ; González Estévez, Julián María ; Zhukov Egorova, Arkady Pavlovich (Elsevier, 2022-11)
In the current study, we have succeeded to fabricate Co2FeSi Heusler alloy glass-covered microwires with magnetic core nucleus diameter d = 4.36 mu m and total diameter D = 17.55 mu m, with high Curie temperature (T-e > ... -
Atomic and molecular structures on a superconducting surface
(2023-05-04)This Ph. D. thesis studies the physical properties of magnetic impurities and spin chains on s-wavesuperconductors. This is an important field of research that has acquired particular importance in recentyears thanks to ... -
Attaining Toughness and Reduced Electrical Percolation Thresholds in Bio-Based PA410 by Combined Addition of Bio-Based Thermoplastic Elastomers and CNTs
Otaegi Tena, Itziar; Aramburu Ocáriz, Nora ; Guerrica Echevarría Estanga, Gonzalo María (MDPI, 2021-09-05)
Multi-walled carbon nanotubes (CNTs) were added to provide electrical conductivity to bio-based polymer blends with improved toughness (based on commercially available Pebax thermoplastic elastomers and bio-based polyamide ... -
Aufbau principle and singlet-triplet gap in spherical Hooke atoms
(Wiley, 2023-02)Singlet and triplet spin state energies for three-dimensional Hooke atoms, that is, electrons in a quadratic confinement, with even number of electrons (2, 4, 6, 8, 10) is discussed using Full-CI and CASSCF type wavefunctions ... -
Bio-based non-isocyanate poly(hydroxy urethane)s (PHU) derived from vanillin and CO2
(Royal Society of Chemistry, 2023-06)As an alternative to the use of hazardous phosgene-based isocyanates for polyurethane preparation, non-isocyanate poly(hydroxy urethanes) (PHU) based on 5-membered cyclic carbonates have been developed. However, to date, ...