BackExaminar OpenAire por departamento (eus.) "Materialen fisika"
Now showing items 1-20 of 42
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Ab initio molecular dynamics on the electronic Boltzmann equilibrium distribution
(IOP Publishing, 2010-08-31)We prove that for a combined system of classical and quantum particles, it is possible to describe a dynamics for the classical particles that incorporates in a natural way the Boltzmann equilibrium population for the ... -
Bottom-up Fabrication and Atomic-Scale Characterization of Triply Linked, Laterally π-Extended Porphyrin Nanotapes
(Wiley, 2021-07-12)Porphyrin nanotapes (Por NTs) are promising structures for their use as molecular wires thanks to a high degree of pi-conjugation, low HOMO-LUMO gaps, and exceptional conductance. Such structures have been prepared in ... -
Broadband Dielectric Spectroscopy Study of Biobased Poly(alkylene 2,5-furanoate)s’ Molecular Dynamics
; ; ; ; ; ; Alegría Loinaz, Angel María
(MDPI, 2020-06-16)
Abstract Poly(2,5-alkylene furanoate)s are bio-based, smart, and innovative polymers that are considered the most promising materials to replace oil-based plastics. These polymers can be synthesized using ecofriendly ... -
Characterisation of Exposure to Non-Ionising Electromagnetic Fields in the Spanish INMA Birth Cohort: Study Protocol
; ; ; ; ; ; ; ; ; ; ; ; Aurrekoetxea Agirre, Juan José; ; ; González Estévez, Julián María ; ; (Biomed Central, 2016-02-18)
Background: Analysis of the association between exposure to electromagnetic fields of non-ionising radiation (EMF-NIR) and health in children and adolescents is hindered by the limited availability of data, mainly due to ... -
Chemistry in Quantum Cavities: Exact Results, the Impact of Thermal Velocities, and Modified Dissociation
(American Chemical Society, 2020-09-17)In recent years tremendous progress in the field of lightmatter interactions has unveiled that strong coupling to the modes of an optical cavity can alter chemistry even at room temperature. Despite these impressive advances, ... -
Controlling the stereospecific bonding motif of Au-thiolate links
Colazzo, Luciano; Mohammed, Mohammed S. G.; Gallardo, Aurelio; Abd El-Fattah, Z. M.; Pomposo Alonso, José Adolfo; Jelinek, Pavel; García de Oteyza Feldermann, Dimas (Royal Society of Chemistry, 2019-09-07)
Over the last decades, organosulfur compounds at the interface of noble metals have proved to be extremely versatile systems for both fundamental and applied research. However, the anchoring of thiols to gold remained an ... -
Dynamics of Confined Short-Chain alkanol in MCM-41 by Dielectric Spectroscopy: Effects of matrix and system Treatments and Filling Factor
; ; ; ; Alegría Loinaz, Angel María (MDPI, 2020-03-07)
The dynamics of n-propanol confined in regular MCM-41 matrix with the pore size Dpore = 40 Å, under various matrix conditioning and sample confining conditions, using broadband dielectric spectroscopy (BDS), is reported. ... -
Effect of environmental humidity on the ionic transport of poly(ethylene oxide) thin films by local dielectric spectroscopy
Markus, Paul; Martínez Tong, Daniel Enrique; Papastavrou, Georg; Alegría Loinaz, Angel María (RSC, 2020-03-03)
The effect of humidity on the ionic transport in the amorphous phase of poly(ethylene oxide) thin films has been studied by via local dielectric spectroscopy. We explored a controlled humidity range between 15 %RH and ... -
Efficient Gate-tunable light-emitting device made of defective boron nitride nanotubes: from ultraviolet to the visible
(Nature Publishing Group, 2013-09)Boron nitride is a promising material for nanotechnology applications due to its two-dimensional graphene-like, insulating, and highly-resistant structure. Recently it has received a lot of attention as a substrate to grow ... -
Electron-phonon-driven three-dimensional metallicity in an insulating cuprate
(National Academy of Sciences, 2020-03-24)The role of the crystal lattice for the electronic properties of cuprates and other high-temperature superconductors remains controversial despite decades of theoretical and experimental efforts. While the paradigm of ... -
Electronic Decoupling of Polyacenes from the Underlying Metal Substrate bysp(3)Carbon Atoms
(Nature, 2020-09-15)Many organic molecules exhibit interesting electronic and magnetic properties, but as they are deposited onto a metallic substrate, their hybridisation often impacts on the observed characteristics. Here, the authors report ... -
Focusing of in-plane hyperbolic polaritons in van der Waals crystals with tailored infrared nanoantennas
(American Association for the Advancement of Science, 2021-10)[EN]Phonon polaritons (PhPs)-light coupled to lattice vibrations-with in-plane hyperbolic dispersion exhibit ray-like propagation with large wave vectors and enhanced density of optical states along certain directions on ... -
Giant Exciton Mott Density in Anatase TiO2
(American Physical Society, 2020-09-10)Elucidating the carrier density at which strongly bound excitons dissociate into a plasma of uncorrelated electron-hole pairs is a central topic in the many-body physics of semiconductors. However, there is a lack of ... -
High Harmonics and Isolated Attosecond Pulses from MgO
(American Physical Society, 2021-01-08)On the basis of real-time ab initio calculations, we study the nonperturbative interaction of two-color laser pulses with MgO crystal in the strong-field regime to generate isolated attosecond pulses from high-harmonic ... -
How Circular Dichroism in Time and Angle-Resolved Photoemission Can Be Used to Spectroscopically Detect Transient Topological States in Graphene
(American Physical Society, 2020-10-19)Pumping graphene with circularly polarized light is the archetype of light-tailoring topological bands. Realizing the induced Floquet-Chern-insulator state and demonstrating clear experimental evidence for its topological ... -
How Confinement Affects the Nucleation, Crystallization, and Dielectric Relaxation of Poly(butylene succinate) and Poly(butylene adipate) Infiltrated within Nanoporous Alumina Templates
Safari, Maryam; Maiz, Jon; Shi, Guangyu; Juanes, Diana; Liu, Guoming; Wang, Dujin; Mijangos, Carmen; Alegría Loinaz, Angel María; Müller Sánchez, Alejandro Jesús (ACS Publications, 2019-10-17)
This work describes the successful melt infiltration of poly(butylene succinate) (PBS) and poly(butylene adipate) (PBA) within 70 nm diameter anodic aluminum oxide (AAO) templates. The infiltrated samples were characterized ... -
How dry is dry? Molecular mobility in relation to thallus water content in a lichen
(Royal Society Of Chemistry, 2020-11-07)The increasing demand for nanoscale magnetic devices requires development of 3D magnetic nanostructures. In this regard, focused electron beam induced deposition (FEBID) is a technique of choice for direct-writing of complex ... -
Identifying substitutional oxygen as a prolific point defect in monolayer transition metal dichalcogenides
Barja Martínez, Sara; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; (Nature, 2019-07-29)
Chalcogen vacancies are generally considered to be the most common point defects in transition metal dichalcogenide (TMD) semiconductors because of their low formation energy in vacuum and their frequent observation in ... -
Interactions between Reduced Graphene Oxide with Monomers of (Calcium) Silicate Hydrates: A First-Principles Study
(MDPI, 2021-08-31)Graphene is a two-dimensional material, with exceptional mechanical, electrical, and thermal properties. Graphene-based materials are, therefore, excellent candidates for use in nanocomposites. We investigated reduced ... -
Light−Matter Response in Nonrelativistic Quantum Electrodynamics
(American Chemical Society, 2019-11)We derive the full linear-response theory for nonrelativistic quantum electrodynamics in the long wavelength limit and provide a practical framework to solve the resulting equations by using quantum-electrodynamical ...