Now showing items 1-20 of 29

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      Ab Initio Theory of Photoemission from Graphene 

      Krasovskii, Eugene E. (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 ...
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      Classical dynamics of gas-surface scattering: fundamentals and applications. 

      Rodríguez Fernández, Alberto (2021-02-05)
      This thesis manuscript is devoted to the theoretical study of several reactive andnon-reactive processes that take place at the gas-solid interface. Two classical trajec-tory methods, different and complementary, were used ...
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      Disentangling Self-Atomic Motions in Polyisobutylene by Molecular Dynamics Simulations 

      Khairy, Yasmin; Álvarez González, Fernando; Arbe Méndez, María Aranzazu; Colmenero de León, Juan (MDPI, 2021-02-23)
      We present fully atomistic molecular dynamics simulations on polyisobutylene (PIB) in a wide temperature range above the glass transition. The cell is validated by direct comparison of magnitudes computed from the simulation ...
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      Electronic Surveillance and Security Applications of Magnetic Microwires 

      Zhukova Zhukova, Valentina; Corte León, Paula; Blanco Aranguren, Juan María; Ipatov, Mihail; González Estévez, Julián María; Zhukov Egorova, Arkady Pavlovich (MDPI, 2021-04-30)
      Applications in security and electronic surveillance require a combination of excellent magnetic softness with good mechanical and anticorrosive properties and low dimensionality. We overviewed the feasibility of using ...
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      Engineered Magnetization and Exchange Stiffness in Direct-Write Co-Fe Nanoelements 

      Bunyaev, S. A.; Budinska, B.; Sachser, Roland; Wang, Q.; Levchenko, K.; Knauer, S.; Bondarenko, A. V.; Urbanek, M.; Gusliyenko, Kostyantyn; Chumak, Andrii V.; Huth, Michael; Kakazei, Gleb N.; Dobrovolskiy, O. V. (American Institute of Physics, 2021-01-11)
      Media with engineered magnetization are essential building blocks in magnonics, spintronics, and superconductivity. However, the established thin film and lithographic techniques insufficiently suit the realization of ...
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      Evidence for a Spin Acoustic Surface Plasmon from Inelastic Atom Scattering 

      Benedek, G.; Bernasconi, M.; Campi, D.; Silkin, Igor V.; Chernov, I. P.; Silkin, Viatcheslav M.; Chulkov, Evgueni V.; Echenique Landiribar, Pedro Miguel; Toennies, J. P.; Anemone, G.; Al Taleb, A.; Miranda, R.; Farías, D. (Nature, 2021-01-15)
      Closed-shell atoms scattered from a metal surface exchange energy and momentum with surface phonons mostly via the interposed surface valence electrons, i.e., via the creation of virtual electron-hole pairs. The latter can ...
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      High-Harmonic Generation from Spin-Polarised Defects in Solids 

      Mrudul, M. S.; Tancogne-Dejean, Nicolas; Rubio Secades, Angel; Dixit, Gopal (Nature, 2020-01-31)
      The generation of high-order harmonics in gases enabled to probe the attosecond electron dynamics in atoms and molecules with unprecedented resolution. Extending these techniques to solids, which were originally developed ...
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      High-Performance All-Organic Aqueous Batteries Based on a Poly(Imide) Anode and Poly(Catechol) Cathode 

      Patil, Nagaraj; Mavrandonakis, Andreas; Jerome, Christine; Detrembleur, Christophe; Casado Pérez, Nerea; Mecerreyes Molero, David; Palma, Jesús; Marcilla, Rebeca (Royal Society Of Chemistry, 2021-01-07)
      Aqueous all-polymer batteries (AqPBs) are foreseen as promising solutions for safe, sustainable, and high-performance energy storage applications. Nevertheless, their development is still challenging as it demands precise ...
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      How is silicic acid transported in plants? 

      Exley, Christopher; Guerriero, Gea; López Pestaña, José Javier (Springer, 2020-11)
      Plants accumulate silicon in their tissues as amorphous silica. The form of silicon taken up by plants is silicic acid, a neutral molecule that passes through membrane channels with water. After seminal work on rice ...
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      In-Plane Anisotropic Optical and Mechanical Properties of Two-Dimensional MoO3 

      Puebla, Sergio; D'Agosta, Roberto; Sánchez Santolino, Gabriel; Frisenda, Riccardo; Munuera, Carmen; Castellanos Gómez, Andrés (Nature, 2021-04-12)
      Molybdenum trioxide (MoO3) in-plane anisotropy has increasingly attracted the attention of the scientific community in the last few years. Many of the observed in-plane anisotropic properties stem from the anisotropic ...
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      Influence of Calcium Ion-Modified Implant Surfaces in Protein Adsorption and Implant Integration 

      Anitua Aldekoa, Eduardo; Cerqueira, Andreia; Romero Gavilán, Francisco; García Arnáez, Iñaki; Martínez Ramos, Cristina; Ozturan, Seda; Azkargorta, Mikel; Elortza, Felix; Gurruchaga Torrecilla, María Dolores; Goñi Echave, Isabel María del Coro; Suay, Julio; Tejero, Ricardo (Springer, 2021-04-21)
      Background Calcium (Ca) is a well-known element in bone metabolism and blood coagulation. Here, we investigate the link between the protein adsorption pattern and the in vivo responses of surfaces modified with calcium ...
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      Innovative Polymers for Next‐Generation Batteries 

      Mecerreyes Molero, David; Porcarelli, Luca; Casado Pérez, Nerea (Wiley, 2020-01-23)
      Lithium-ion batteries are part of modern life, being present in daily-used objects such as mobile phones, tablets, computers, watches, sport accessories, electric scooters, and cars. The next-generation batteries require ...
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      Magnetism at the nanoscale: Electron spin resonance 

      Reina Gálvez, José (2021-05-12)
      Scanning tunneling microscope (STM) lleva revolucionando el campo de la materia condensada desdehace unos años. Esta técnica ofrece tanto una gran resolución espacial como energética, permitiendo lamanipulación atómica ...
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      Matching Rheology, Conductivity and Joule Effect in PU/CNT Nanocomposites 

      Sangroniz Agudo, Leire; Landa, Maite; Fernández San Martín, Mercedes; Santamaría Ibarburu, Pedro Antonio (MDPI, 2021-03-19)
      We investigated polyurethane (PU)–carbon nanotube (CNT) nanocomposites (PU/CNT) in a range of concentrations from 1 to 8 wt% CNT as hot melt adhesives. We studied the thermal properties of the nanocomposites, which is ...
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      Moireless Correlations in ABCA Graphene 

      Kerelsky, Alexander; Rubio Verdú, Carmen; Xian, Lede; Kennes, Dante M.; Halbertal, Dorri; Finney, Nathan; Song, Larry; Turkel, Simon; Wang, Lei; Watanabe, Kenji; Taniguchi, Takashi; Hone, James; Dean, Cory R.; Basov, Dmitri N.; Rubio Secades, Angel; Pasupathy, Abhay N. (National Academy of Sciences, 2021-01-26)
      Atomically thin van der Waals materials stacked with an interlayer twist have proven to be an excellent platform toward achieving gate-tunable correlated phenomena linked to the formation of flat electronic bands. In this ...
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      Nanoscale engineering omniphobic surfaces 

      Fenero Bisquer, Marta (2021-01-28)
      [ES]Las superficies expuestas al ambiente presentan una gran tendencia a atraer suciedad. Teniendo en cuenta que son éstas las que definen la mayor parte de las propiedades de los materiales, tanto la presencia como la ...
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      Overcoming the Exciton Binding Energy in Two-Dimensional Perovskite Nanoplatelets by Attachment of Conjugated Organic Chromophores 

      Gélvez Rueda, María C.; Fridriksson, Magnus B.; Dubey, Rajeev K.; Jager, Wolter F.; Van der Stam, Ward; Grozema, Ferdinand C. (Nature, 2020-04-20)
      In this work we demonstrate a novel approach to achieve efficient charge separation in dimensionally and dielectrically confined two-dimensional perovskite materials. Two-dimensional perovskites generally exhibit large ...
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      Physical Aging Behavior of a Glassy Polyether 

      Monnier, Xavier; Marina Barbier, Sara Luisa; López de Pariza Sanz, Xabier; Sardon Muguruza, Haritz; Martín Pérez, Jaime; Cangialosi, Daniele (MDPI, 2021-03-20)
      The present work aims to provide insights on recent findings indicating the presence of multiple equilibration mechanisms in physical aging of glasses. To this aim, we have investigated a glass forming polyether, poly(1-4 ...
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      Preparation, Physical Properties, and Applications of Water-Based Functional Polymer Inks 

      Gutiérrez-Fernández, Edgar; Cui, Jing; Martínez Tong, Daniel Enrique; Nogales, Aurora (MDPI, 2021-04-27)
      In this study, water-based functional polymer inks are prepared using different solvent displacement methods, in particular, polymer functional inks based on semiconducting polymer poly(3-hexylthiophene) and the ferroelectric ...
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      Simulating Vibronic Spectra without Born-Oppenheimer Surfaces 

      Lively, Kevin; Albareda, Guillermo; Sato, Shunsuke A.; Kelly, Aaron; Rubio Secades, Angel (ACS Publications, 2021-04-01)
      We show how linear vibronic spectra in molecular systems can be simulated efficiently using first-principles approaches without relying on the explicit use of multiple Born-Oppenheimer potential energy surfaces. We demonstrate ...