Now showing items 1-20 of 144

    • Thumbnail

      A Dissolution Model of Alite Coupling Surface Topography and Ions Transport under Different Hydrodynamics Conditions at Microscale 

      Chen, Jiayi; Martín, Pablo; Xu, Zhiyuan; Manzano Moro, Hegoi; Sánchez Dolado, Jorge; Ye, Guang (Elsevier, 2021-04)
      Portland cement is the most produced material in the world. The hydration process of cement consists of a group of complex chemical reactions. In order to investigate the mechanism of cement hydration, it is vital to study ...
    • Thumbnail

      A Novel Vibrational Spectroscopy Using Spintronic-Plasmonic Antennas: Magneto-Refractive Surface-Enhanced Infrared Absorption 

      Armelles, Gaspar; Bergamini, Luca; Cebollada, Alfonso; Zabala Unzalu, Miren Nerea; Aizpurua Iriazabal, Francisco Javier (American Institute of Physics, 2021-02-21)
      We present experimental and theoretical results of the molecular sensing performance of a novel platform based on magnetic modulation of surface-enhanced infrared absorption spectroscopy. For this, we study the effect that ...
    • Thumbnail

      A redox-active radical as an effective nanoelectronic component: stability and electrochemical tunnelling spectroscopy in ionic liquids 

      Rudnev, Alexander V.; Franco, Carlos; Crivillers, Núria; Seber, Gonca; Droghetti, Andrea; Rungger, Ivan; Pobelov, Ilya V.; Veciana, Jaume; Mas-Torrent, Marta; Rovira, Concepció (Royal Society of Chemistry, 2016-10-28)
      A redox-active persistent perchlorotriphenylmethyl (PTM) radical chemically linked to gold exhibits stable electrochemical activity in ionic liquids. Electrochemical tunnelling spectroscopy in this medium demonstrates that ...
    • Thumbnail

      Ab initio calculation of low-energy collective charge-density excitations in MgB2 

      Silkin, Viatcheslav M.; Balassis, A.; Echenique Landiribar, Pedro Miguel; Tchoulkov Savkin, Evgueni Vladimirovich (American Physical Society, 2009-08)
      We present ab initio time-dependent density-functional theory calculation results for low-energy collective electron excitations in MgB2. The existence of a long-lived collective excitation corresponding to coherent charge ...
    • Thumbnail

      Ab Initio Molecular Dynamics of Hydrogen on Tungsten Surfaces 

      Rodríguez Fernández, Alberto; Bonnet, Laurent; Larregaray, Pascal; Díez Muiño, Ricardo (Royal Society Of Chemistry, 2021-04-07)
      The dissociation process of hydrogen molecules on W(110) was studied using density functional theory and classical molecular dynamics. We have calculated the dissociation probability for molecules with energies below 300 ...
    • Thumbnail

      Ab initio molecular dynamics on the electronic Boltzmann equilibrium distribution 

      Alonso, J. L.; Castro, A.; Echenique, P.; Polo, V.; Rubio Secades, Angel; Zueco, D. (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 ...
    • Thumbnail

      Acoustic plasmons in extrinsic free-standing graphene 

      Pisarra, M.; Sindona, A.; Riccardi, P.; Silkin, Viatcheslav M.; Pitarke de la Torre, José María (IOP Publishing, 2014-08-04)
      An acoustic plasmon is predicted to occur, in addition to the conventional two-dimensional (2D) plasmon, as the collective motion of a system of two types of electronic carriers coexisting in the same 2D band of extrinsic ...
    • Thumbnail

      Advances in Click Chemistry for Single-Chain Nanoparticle Construction 

      Sánchez Sánchez, Ana Belén; Pérez Baena, Irma; Pomposo Alonso, José Adolfo (MDPI, 2013-03)
      Single-chain polymeric nanoparticles are artificial folded soft nano-objects of ultra-small size which have recently gained prominence in nanoscience and nanotechnology due to their exceptional and sometimes unique properties. ...
    • Thumbnail

      Advances in Fluorescent Single-Chain Nanoparticles 

      De la Cuesta Leone, Julen; González, Edurne; Pomposo Alonso, José Adolfo (MDPI, 2017-10-26)
      Fluorophore molecules can be monitored by fluorescence spectroscopy and microscopy, which are highly useful and widely used techniques in cell biology, biochemistry, and medicine (e.g., biomarker analysis, immunoassays, ...
    • Thumbnail

      Advances in Single-Chain Nanoparticles for Catalysis Applications 

      Rubio Cervilla, Jon; González, Edurne; Pomposo Alonso, José Adolfo (MDPI, 2017-10-21)
      Enzymes are the most efficient catalysts known for working in an aqueous environment near room temperature. The folding of individual polymer chains to functional single-chain nanoparticles (SCNPs) offers many opportunities ...
    • Thumbnail

      Advances in the Phototriggered Synthesis of Single-Chain Polymer Nanoparticles 

      Verde Sesto, Ester; Blázquez Martín, Agustín; Pomposo Alonso, José Adolfo (MDPI, 2019-11)
      Clean use of photons from light to activate chemical reactions offers many possibilities in different fields, from chemistry and biology to materials science and medicine. This review article describes the advances carried ...
    • Thumbnail

      An Embedded Stress Sensor for Concrete SHM Based on Amorphous Ferromagnetic Microwires 

      Olivera, Jesús; González, Margarita; Fuente, José Vicente; Varga, Rastislav; Zhukov Egorova, Arkady Pavlovich; Anaya, José Javier (MDPI, 2014-11)
      A new smart concrete aggregate design as a candidate for applications in structural health monitoring (SHM) of critical elements in civil infrastructure is proposed. The cement-based stress/strain sensor was developed by ...
    • Thumbnail

      An Epilepsy-Causing Mutation Leads to Co-Translational Misfolding of the Kv7.2 Channel 

      Urrutia Iñiguez, Janire; Aguado Martínez, Alejandra; Gomis Pérez, Carolina; Muguruza Montero, Arantza; Rodríguez Ballesteros, Oscar; Zhang, Jiaren; Nuñez Viadero, Eider; Malo de la Fuente, Covadonga; Chung, Hee Jung; Leonardo Liceranzu, Aritz; Bergara Jauregui, Aitor; Villarroel Muñoz, Álvaro (Springer, 2021-05-21)
      BACKGROUND: The amino acid sequence of proteins generally carries all the necessary information for acquisition of native conformations, but the vectorial nature of translation can additionally determine the folding outcome. ...
    • Thumbnail

      Beyond the State of the Art: Novel Approaches for Thermal and Electrical Transport in Nanoscale Devices 

      Biele, Robert; D’Agosta, Roberto (MDPI, 2019-08)
      Almost any interaction between two physical entities can be described through the transfer of either charge, spin, momentum, or energy. Therefore, any theory able to describe these transport phenomena can shed light on a ...
    • Thumbnail

      Bottom-up Fabrication and Atomic-Scale Characterization of Triply Linked, Laterally π-Extended Porphyrin Nanotapes 

      Sun, Qiang; Mateo, Luis M.; Robles Rodríguez, Roberto; Lorente Palacios, Nicolás; Ruffieux, Pascal; Bottari, Giovanni; Torres, Tomás; Fasel, Roman (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 ...
    • Thumbnail

      Broadband Dielectric Spectroscopy Study of Biobased Poly(alkylene 2,5-furanoate)s’ Molecular Dynamics 

      Soccio, Michelina; Martínez Tong, Daniel Enrique; Guidotti, Giulia; Robles Hernández, Beatriz; Munari, Andrea; Lotti, Nadia; 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 ...
    • Thumbnail

      Characterisation of Exposure to Non-Ionising Electromagnetic Fields in the Spanish INMA Birth Cohort: Study Protocol 

      Gallastegi Bilbao, Mara; Guxens, Mónica; Jiménez Zabala, Ana María; Calvente, Irene; Fernández Andrés, Marta; Birks, Laura; Struchen, Benjamin; Vrijheid, Martine; Estarlich, Marisa; Fernández, Mariana F.; Torrent, Maties; Ballester, Ferrán; Aurrekoetxea Agirre, Juan José; Ibarluzea Maurolagoitia, Jesús María; Guerra Pereda, David; González Estévez, Julián María; Röösli, Martin; Santa Marina, Loreto (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 ...
    • Thumbnail

      Chemistry in Quantum Cavities: Exact Results, the Impact of Thermal Velocities, and Modified Dissociation 

      Sidler, Dominik; Ruggenthaler, Michael; Appel, Heiko; Rubio Secades, Angel (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, ...
    • Thumbnail

      Coarsening Kinetics of Complex Macromolecular Architectures in Bad Solvent 

      Paciolla, Mariarita; Arismendi-Arrieta, Daniel J.; Moreno, Angel J. (MDPI, 2020-03-02)
      This study reports a general scenario for the out-of-equilibrium features of collapsing polymeric architectures. We use molecular dynamics simulations to characterize the coarsening kinetics, in bad solvent, for several ...
    • Thumbnail

      Coercivity and Magnetic Anisotropy of (Fe0.76Si0.09B0.10P0.05)97.5Nb2.0Cu0.5 Amorphous and Nanocrystalline Alloy Produced by Gas Atomization Process 

      Alvarez, Kenny L.; Martín, José Manuel; Burgos, Nerea; Ipatov, Mihail; Domínguez Carrascoso, María Lourdes; González Estévez, Julián María (MDPI, 2020-05-04)
      We present the evolution of magnetic anisotropy obtained from the magnetization curve of (Fe0.76Si0.09B0.10P0.05)97.5Nb2.0Cu0.5 amorphous and nanocrystalline alloy produced by a gas atomization process. The material obtained ...