Now showing items 1-20 of 236

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      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 ORCID; 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 ...
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      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 ...
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      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 ...
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      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 ...
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      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 ...
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      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 ...
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      Ab-initio theoretical study of electronic excitations and optical properties in nanostructures 

      Marchesín, Federico (2017-07-21)
      La miniaturización de los dispositivos electrónicos para la transferencia de información y procesado de señales ha impulsado el estudio de las propiedades electrónicas y la dinámica de excitaciones electrónicas en ...
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      Acoustic plasmons in extrinsic free-standing graphene 

      Pisarra, M.; Sindona, A.; Riccardi, P.; Silkin, Viatcheslav M.; Pitarke de la Torre, José María ORCID (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 ...
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      Advances in Click Chemistry for Single-Chain Nanoparticle Construction 

      Sánchez Sánchez, Ana Belén; Pérez Baena, Irma; Pomposo Alonso, José Adolfo ORCID (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. ...
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      Advances in Fluorescent Single-Chain Nanoparticles 

      De la Cuesta Leone, Julen; González, Edurne; Pomposo Alonso, José Adolfo ORCID (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, ...
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      Advances in Single-Chain Nanoparticles for Catalysis Applications 

      Rubio Cervilla, Jon; González, Edurne; Pomposo Alonso, José Adolfo ORCID (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 ...
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      Advances in the Phototriggered Synthesis of Single-Chain Polymer Nanoparticles 

      Verde Sesto, Ester; Blázquez Martín, Agustín; Pomposo Alonso, José Adolfo ORCID (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 ...
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      Ald processes development for hybrid nanodevices-like nanostructures 

      Moreno Araneda, Mabel Andrea (2017-09-12)
      The development of new and innovative atomic structures displaying multifunctional properties goes together with progress in advanced processes which enable atomic level control. One leading deposition technique is Atomic ...
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      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 ORCID; 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 ...
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      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; Núñez Viadero, Eider ORCID; 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. ...
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      Analysis and control of transient spectra using time-dependent density functional theory. 

      Walkenhorst, Jessica (2016-01-29)
      Attosecond-transient absorption spectroscopy and attosecond time-resolved photoelectronspectroscopy based on pump-probe setups have recently become possibledue to the availability of ultra-fast pulsed laser sources. These ...
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      Análisis estructural de aleaciones ligeras de boro y AS2 TE3 a altas presiones 

      Suárez Alcubilla, Ainhoa (2016-10-14)
      Uno de los aspectos más apasionantes de la predicción y caracterización de estructuras cristalinas bajo condiciones extremas es el reto interdisciplinar que representa. La física de materiales y la química inorgánica ...
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      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 ...
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      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 ...
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      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 ORCID (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 ...