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    Listar por autor "Otero-Fernandez-de-Molina, Juan Carlos"

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    Mostrando ítems 1-20 de 29

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      • Charge transfer in the nanoscale and SERS: understanding the huge efficiency of the electrode potencial in tuning the CT states 

        Centeno, SilviaAutoridad Universidad de Málaga; Ruano, Cristina; Roman-Perez, Jessica; López-Tocón, IsabelAutoridad Universidad de Málaga; Soto-Martin, JuanAutoridad Universidad de Málaga; Otero-Fernandez-de-Molina, Juan CarlosAutoridad Universidad de Málaga[et al.] (2014-09-10)
        This work deals with the unexplained efficiency of the electrode potential in tuning the energy of the CT states of hybrid systems formed by molecules and metallic nano structures. Huge energy gain up to 5eV/V observed in ...
      • Charge Transfer mechanism in the Surface Enhanced Raman Scattering of 2,2'-bipyridine recorded on a silver electrode 

        Valdivia Mantas, Samuel; Aranda, Daniel; López-Tocón, IsabelAutoridad Universidad de Málaga; Soto-Martin, JuanAutoridad Universidad de Málaga; Otero-Fernandez-de-Molina, Juan CarlosAutoridad Universidad de Málaga; Avila-Ferrer, Francisco JoseAutoridad Universidad de Málaga[et al.] (2018-07-17)
        Nowadays, Surface Enhanced Raman Spectroscopy (SERS) has become a powerful technique to investigate the electronic structure of surface-molecule hybrid systems due to the huge enhancement of the Raman signal. It is established ...
      • Comparative study of different theoretical approaches for modeling the dependence of the SERS vibrational wavenumbers on the electrode potential 

        Aranda, Daniel; Valdivia Mantas, Samuel; Soto-Martin, JuanAutoridad Universidad de Málaga; López-Tocón, IsabelAutoridad Universidad de Málaga; Avila-Ferrer, Francisco JoseAutoridad Universidad de Málaga; Otero-Fernandez-de-Molina, Juan CarlosAutoridad Universidad de Málaga[et al.] (2019-07-25)
        Surface-enhanced Raman scattering (SERS) is a powerful technique to study the electronic structure of charged metal-molecule interfaces, which are relevant in many fields like electrochemistry, heterogeneous catalysis or ...
      • DFT study of the effect of the electrode potential on anchoring of metal-molecule hybrids 

        Aranda, Daniel; Soto-Martin, JuanAutoridad Universidad de Málaga; Otero-Fernandez-de-Molina, Juan CarlosAutoridad Universidad de Málaga; Avila-Ferrer, Francisco JoseAutoridad Universidad de Málaga (2018-03-12)
        The impact of the molecular adsorption process on the electronic structure is the key in phenomena involved in electrochemistry, catalysis, molecular electronics, SERS, photoelectric conversion, etc. The effect of the ...
      • Effect of different excitation wavelength on SERS spectra of pyridine 

        López-Tocón, IsabelAutoridad Universidad de Málaga; Aranda, Daniel; Avila-Ferrer, Francisco JoseAutoridad Universidad de Málaga; Soto-Martin, JuanAutoridad Universidad de Málaga; Otero-Fernandez-de-Molina, Juan CarlosAutoridad Universidad de Málaga (2018-05-14)
        SERS spectra of pyridine has been already recorded on a silver electrode in a potential range from 0.0 to -1.40 V with a saline solution, pyridine / KCl (0.1M / 0.1M), by using the 514.5 nm exciting line. Under these ...
      • Effect of the electrode potential on surface-enhanced Raman intensities of 2-methylpyrazine 

        López-Tocón, IsabelAutoridad Universidad de Málaga; Centeno, SilviaAutoridad Universidad de Málaga; Roman-Perez, Jessica; Otero-Fernandez-de-Molina, Juan CarlosAutoridad Universidad de Málaga (2014-05-30)
        The effect of the electrode potential on Surface Enhanced Raman Scattering (SERS) intensities of 2-methylpyrazine (2MP) recorded under resonant charge transfer (CT) conditions is analyzed by using a simple theoretical model ...
      • Elaboración de pruebas de conocimiento en un entorno virtual como método de evaluación continua 

        López-Tocón, IsabelAutoridad Universidad de Málaga; Centeno, SilviaAutoridad Universidad de Málaga; Soto-Martin, JuanAutoridad Universidad de Málaga; Otero-Fernandez-de-Molina, Juan CarlosAutoridad Universidad de Málaga (2015-06-22)
        Se ha realizado una serie de pruebas de conocimiento o cuestionarios, dentro de la plataforma Moodle, como método de evaluación continua de la asignatura de Química Física General que se imparte en el primer curso del Grado ...
      • Electric field and charged cluster dual model for Potential Depdendent Surface-Enhanced Raman Spectroscopy 

        Otero-Fernandez-de-Molina, Juan CarlosAutoridad Universidad de Málaga; Avila-Ferrer, Francisco JoseAutoridad Universidad de Málaga; García-González, Francisco; Aranda Ruiz, Daniel (2022)
        The computation of electrochemical systems is very challenging because of the many variables involved.1 Among them, the effect of the electrode potential is particularly complex to be introduced in atomistic models. In ...
      • Electric field and solvent model for Electrochemical SERS: excited-state and enhancement tuning 

        García, Francisco; Aranda, Daniel; Ávila, Francisco; Otero-Fernandez-de-Molina, Juan CarlosAutoridad Universidad de Málaga (2023)
        Being SERS a promising technique due to it potentially combining the well-known characterization prowess of Raman with the high sensitivity arising from nanoparticle-associated enhancement, 1 understanding the mechanisms ...
      • Electrochemical SERS spectra of isonicotinic acid analyzed under a photoinduced charge-transfer mechanism 

        López-Tocón, IsabelAutoridad Universidad de Málaga; Roman-Perez, Jessica; Soto-Martin, JuanAutoridad Universidad de Málaga; Otero-Fernandez-de-Molina, Juan CarlosAutoridad Universidad de Málaga (2014-05-28)
        Isonicotinic (IN) acid is one of the three monocarboxilic derivatives of pyridine in which the acid group is located in para-position of the heterocyclic ring. It is a weak acid (pK2=4.86) and therefore, it is not completely ...
      • Frequency shift on the potential-dependent surface-enhanced Raman scattering of pyridine: simplified models for metal and solvent effects 

        Aranda, Daniel; López-Tocón, IsabelAutoridad Universidad de Málaga; Soto-Martin, JuanAutoridad Universidad de Málaga; Otero-Fernandez-de-Molina, Juan CarlosAutoridad Universidad de Málaga; Avila-Ferrer, Francisco JoseAutoridad Universidad de Málaga (2018-07-18)
        The electronic structure of adsorbates is altered when it interacts with a surface, modifying the properties of both entities and giving rise to interesting phenomena related to heterogeneous catalysis or molecular ...
      • Fundamentals and Applications of Surface-Enhanced Raman Spectroscopy (SERS) 

        Lopez-Ramirez, Maria RosaAutoridad Universidad de Málaga; Otero-Fernandez-de-Molina, Juan CarlosAutoridad Universidad de Málaga; Soto-Martin, JuanAutoridad Universidad de Málaga; Castro, Jose Luis; Arenas, Juan F. (2019-05-16)
        When a molecule is adsorbed on some metallic nanostructured surfaces such as silver, copper or gold, it can undergo an enormous enhancement of the Raman signal giving rise to the so called Surface-Enhanced Raman Scattering ...
      • Highly effective SERS nanopattern substrate. The enhancement is demonstrated using thiophenol as a molecular probe 

        Lopez-Ramirez, Maria RosaAutoridad Universidad de Málaga; Guerrero, A.R.; Castro, Jose Luis; Otero-Fernandez-de-Molina, Juan CarlosAutoridad Universidad de Málaga; Aroca, R.F. (2014-07-31)
        The number of different types of Surface-enhanced Raman Scattering (SERS) substrates available for experimentation is increasing at high speed. New alternatives are introduced and explored every year in the literature ...
      • Interaction effects of fermentation time and sourdough content on the size and acidity in bread 

        Lopez Moreno, Cristina; Ruíz-Delgado, María del CarmenAutoridad Universidad de Málaga; Ponce-Ortiz, RocioAutoridad Universidad de Málaga; Otero-Fernandez-de-Molina, Juan CarlosAutoridad Universidad de Málaga; López-Navarrete, Juan TeodomiroAutoridad Universidad de Málaga; Ramírez Márquez, Pedro; Ramírez Márquez, Salvador Jesús; Ramírez Montosa, Carlos; Ruiz Andújar, Indalecio[et al.] (2020-10-16)
        The use of sourdough to provide certain physical, organoleptic and nutritional properties to bread is one of the most used biotechnological processes in the production of cereal-based foods. Sourdough, yeast and fermentation ...
      • Modeling the effect of the electrode potential in SERS by electronic structure calculations. 

        Avila-Ferrer, Francisco JoseAutoridad Universidad de Málaga; Aranda, Daniel; Roman-Perez, Jessica; Lopez-Ramirez, Maria RosaAutoridad Universidad de Málaga; López-Tocón, IsabelAutoridad Universidad de Málaga; Arenas, Juan Francisco; Otero-Fernandez-de-Molina, Juan CarlosAutoridad Universidad de Málaga; Soto-Martin, JuanAutoridad Universidad de Málaga[et al.] (2018-07-18)
        Surface Enhanced Raman Spectroscopy (SERS), due to the ability of greatly intensify the weak Raman signal of molecules adsorbed to metal surfaces, has proven to be a very useful tool to investigate changes in the electronic ...
      • Modelling potential dependent surface-enhanced raman scattering: electric field and charged cluster dual model 

        García-González, Francisco; Otero-Fernandez-de-Molina, Juan CarlosAutoridad Universidad de Málaga; Avila-Ferrer, Francisco JoseAutoridad Universidad de Málaga; Aranda, Daniel (2022)
        The computation of electrochemical systems is very challenging because of the many variables involved. Among them, the effect of the electrode potential is particularly complex to be introduced in atomistic models. In this ...
      • An MS-CASPT2 Study of the Photodecomposition of 4- Methoxyphenyl Azide. Role of Internal Conversion and Intersystem Crossing 

        Aranda, Daniel; Avila-Ferrer, Francisco JoseAutoridad Universidad de Málaga; López-Tocón, IsabelAutoridad Universidad de Málaga; Arenas, Juan F.; Otero-Fernandez-de-Molina, Juan CarlosAutoridad Universidad de Málaga; Soto-Martin, JuanAutoridad Universidad de Málaga[et al.] (2019-02-13)
        Aryl azides photochemistry is strongly dependent on the substituent relative position, as has been studied by time resolved resonant Raman (TR3) spectroscopy for 4-methoxyphenyl azide and its isomer 3-methoxyphenyl azide. ...
      • Procesos de Resonancia Raman en Espectroscopía SERS 

        Roman-Perez, Jessica (UMA Editorial, 2015)
        Se han estudiado diversas cuestiones fundamentales relacionadas con el origen de la enorme intensificación que experimenta el espectro Raman de una molécula situada en las proximidades de ciertas superficies metálicas. La ...
      • Raman, SERS and DFT study of chemically-adsorbed thiobenzoic acid on silver nanoparticles 

        Lopez-Ramirez, Maria RosaAutoridad Universidad de Málaga; Arenas, Juan Francisco; Otero-Fernandez-de-Molina, Juan CarlosAutoridad Universidad de Málaga; Castro, Jose Luis (2014-03-27)
        Thiocarboxylic acids are organosulphur compounds with general formula RC(O)SH. They are related to carboxylic acids by the replacement of one oxygen by sulphur. Two tautomers are possible, written as RC(S)OH and RC(O)SH. ...
      • SECARS imaging of thiophenol adsorbed on silver colloids 

        Centeno, SilviaAutoridad Universidad de Málaga; Schäfer, Gerhard; Görgülü, Rabia; Otero-Fernandez-de-Molina, Juan CarlosAutoridad Universidad de Málaga; Zumbusch, Andreas (2013-10-30)
        The very large enhancement of the Raman signal observed in SERS (Surface-enhanced Raman Spectroscopy)[1] enabling single molecule sensitivity in some cases, makes it very appealing to apply this same experimental approach ...
        REPOSITORIO INSTITUCIONAL UNIVERSIDAD DE MÁLAGA
        REPOSITORIO INSTITUCIONAL UNIVERSIDAD DE MÁLAGA
         

         

        REPOSITORIO INSTITUCIONAL UNIVERSIDAD DE MÁLAGA
        REPOSITORIO INSTITUCIONAL UNIVERSIDAD DE MÁLAGA