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Now showing items 91-100 of 107
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 ...
Crystallization and self-assembly of ferroelectric/piezoelectric materials designed for organic electronic devices
(2022-10-04)
La presente tesis doctoral trata sobre la caracterización de diversos sistemas compuestos por PVDF. Este polímero aparte de buenas propiedades mecánicas también puede tener propiedades ferroeléctricas y piezoeléctricas, ...
Sustainable PHBH–Alumina Nanowire Nanocomposites: Properties and Life Cycle Assessment
(MDPI, 2022-11-20)
Poly(3-hydroxybutyrate-co-3-hydroxyhexanoate) (PHBH) is a bio-based polyester with the potential to replace some common polymers of fossil origin. However, PHBH presents serious limitations, such as low stiffness, tendency ...
Crystallization studies and application of innovative solid polymer electrolytes for lithium batteries
(2022-02-14)
En esta tesis de doctorado se estudiaron diferentes sistemas de electrolitos poliméricos, con el objetivo de ser utilizados en baterías de litio. Los sistemas poliméricos desarrolados se prepararon con la finalidad de ...
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 ...
Innovative mixed ionic-electronic conductors for energy storage systems
(2022-10-21)
En las últimas décadas se ha intensificado el desarrollo y optimización de baterías con el objetivo de desarrollar dispositivos con mayores energías y potencias, pero también más seguros y ligeros. En este sentido, materiales ...
Electronic transport through suspended graphene nanoribbons using a scanning tunneling microscope
(2022-10-14)
In this thesis, I investigated the two-terminal electronic transport through individualspin-hosting graphene nanoribbons (GNRs) suspended between the tip and the substrate of a low-temperature scanning tunneling microscope. ...
Determination of nonlinear optical properties with quantum chemistry: from benchmarks to experimental systems
(2022-12-02)
This thesis addresses different aspects related to the computation of nonlinear optical(NLO) properties, from the investigation of reference benchmark systems using highlyaccurate wavefunction methods to that of experimental ...
Enhanced Charge Transfer Kinetics for the Electroreduction of Carbon Dioxide on Silver Electrodes Functionalized with Cationic Surfactants
(Wiley, 2022-12-09)
Cationic ammonium surfactants can be used together with a suitable catalyst to enhance the electroreduction of carbon dioxide (CO2RR). However, the underlying reasons for the improvements are not yet well understood. In ...
Fabrication and Magneto-Structural Properties of Co2-Based Heusler Alloy Glass-Coated Microwires with High Curie Temperature
(MDPI, 2022)
[EN] In this work, we were able to produce Co2FeSi Heusler alloy glass-covered microwires with a metallic nucleus diameter of about 4.4 µm and total sample diameter of about 17.6 μm by the Taylor–Ulitovsky Technique. This ...