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Research groups
  Grupo de Espectroelectroquímica y Modelización (GEM)

General data

Field of study:
Experimental Sciences
Website:
E-mail:
Telephone:
+34 965903400 x 9809

Annual reports

Annual report
  • Caracterización por espectroscopia infrarroja in situ de la interfase metal/disolución
    Preparación, caracterización estructural y electroquímica de capas finas de metales formadas mediante distintos métodos (depósitos químicos o electroquímicos, evaporación, pulverización catódica (sputtering)...). Estudios de espectroscopia infrarroja in situ de la interfase entre estas capas y disoluciones de electrolito. Comparación con electrodos monocristalinos de diferentes metales. Estudio espectroelectroquímico de procesos electrocatalíticos y de la cinética de los proceso de adsorción/desorción sobre capas finas metálicas.
  • Estudio mediante SERS (Surface Enhaced Raman Spectroscopy) de la interfase electrodo/disolución
    Caracterización de capas finas metálicas nanoestructuradas. Preparación de substratos nanoestructurados activos en SERS. Estudios SERS de procesos de adsorción (tipos de enlaces, orientación y conformación de los adsorbatos) y de electrocatálisis.
  • Simulación a nivel molecular de interfases electrificadas
    Aplicación de la Teoría del Funcional de la Densidad al cálculo teórico de propiedades moleculares de intermedios de reacción y especies adsorbidas sobre superficies metálicas. Estimación, usando modelos de cluster, y de slabs con condiciones de contorno periódicas, de: energías de adsorción, estabilidad relativa de sitios de adsorción, modos de enlace, geometría de intermedios adsorbidos, así como de frecuencias vibracionales y sus respectivas intensidades en infrarrojo y Raman. Estudio de capas adsorbidas mediante simulación mecanoestadística usando las técnicas de Monte Carlo y de Dinámica Molecular. Simulación de transiciones de fase en capas adsorbidas.

 

 

Abilities

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Results

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Available relevant infrastructure

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RELEVANT CONTRIBUTIONS TO RESEARCH PROJECTS
  • Project title: Preparación y Caracterización de Materiales y Electrodos para Electroreducción de CO2.
    Competitive: Yes
    European: No
    Public: Yes
    Project sponsors: MINISTERIO DE ECONOMIA Y EMPRESA
    Starting date: 30/12/2016
    Termination date: 29/12/2019
  • Project title: Estructura interfacial y reactividad electroquímica
    Competitive: Yes
    European: No
    Public: Yes
    Project sponsors: MINISTERIO DE ECONOMIA Y EMPRESA
    Starting date: 30/12/2016
    Termination date: 29/12/2019
  • Project title: Desarrollo de nuevos materiales catalícos para la valorización electroquímica de CO2
    Competitive: Yes
    European: No
    Public: Yes
    Project sponsors: MINISTERIO DE ECONOMIA Y EMPRESA
    Starting date: 01/01/2014
    Termination date: 31/12/2016
  • Project title: Estudios avanzados sobre la reacción de reducción de oxígeno
    Competitive: Yes
    European: No
    Public: Yes
    Project sponsors: MINISTERIO DE ECONOMIA Y EMPRESA
    Starting date: 01/01/2014
    Termination date: 31/12/2016
  • Project title: Infraestructura científica SICAI
    Competitive: Yes
    European: No
    Public: Yes
    Project sponsors: MINISTERIO DE ECONOMIA Y EMPRESA
    Starting date: 01/01/2003
    Termination date: 31/12/2003
No data

Publications See search box

RELEVANT CONTRIBUTIONS IN JOURNALS
  • Title: Ancient potters, paintings and craft specialization in northwesternargentine region: new data through Raman characterization of pre- and postfiring ceramic paintings on Aguada Portezuelo Ceramics from Middle Period (Catamarca, Argentina)
    Authors: De la Fuente, G.A.; Pérez, J.M.
    Journals Archaeological and Anthropological Sciences
    Volume:
    Pages: 1 - 16
    Date: 2018
    ISSN: 1866-9557
    DOI: https://doi.org/10.1007/s12520-018-0676-9
  • Title: Spectroelectrochemical and Density Functional Theory Study ofSquaric Acid Adsorption and Oxidation at Gold Thin Film and Single Crystal Electrodes
    Authors: William Cheuquepán, Antonio Rodes, José Manuel Orts, J. M. Feliu
    Journals The Journal of Physical Chemistry C
    Volume: 122
    Pages: 22352 - 22365
    Date: 2018
    ISSN: 1932-7447
    DOI: 10.1021/acs.jpcc.8b03852
  • Title: Formation of cyanuric acid from cyanate adsorbed at gold electrodes.
    Authors: W. Cheuquepán, A. Rodes, J.M. Orts, J.M. Feliu
    Journals Electrochemistry Communications
    Volume: 74
    Pages: 1 - 4
    Date: 2017
    ISSN: 1388-2481
  • Title: Hydroxyurea electrooxidation at gold electrodes. In situ infraredspectroelectrochemical and DFT characterization of adsorbedintermediates
    Authors: William Cheuquepán, José Manuel Ortsa, Antonio Rodes
    Journals Electrochimica Acta
    Volume: 246
    Pages: 951 - 962
    Date: 2017
    ISSN: 0013-4686
    DOI: http://dx.doi.org/10.1016/j.electacta.2017.06.091
  • Title: Spectroelectrochemical detection of specifically adsorbed cyanurate anions at gold electrodes with (111) orientation in contact with cyanate and cyanuric acid neutral solutions
    Authors: Cheuquepán, W.; Rodes,A.; Orts, J.M. Feliu
    Journals Journal of Electroanalytical Chemistry
    Volume: 800
    Pages: 167 - 175
    Date: 2017
    ISSN: 1572-6657
    DOI: http://dx.doi.org/10.1016/j.jelechem.2017.02.015
RELEVANT PUBLISHED BOOKS
  • Title: Problemas resueltos de Química Cuántica y Espectroscopia Molecular
    Authors: Pérez, J.M.; Esteban-Elum, A.L.; Galache, M.P.
    Editorial: Servicio de Publicaciones de la Universidad de Alicante
    Date: 2001
    ISBN: 84-7908-622-X
RELEVANT PUBLISHED BOOK CHAPTERS
  • Book chapter title: NO Adsorption and Reduction on Well-Defined Metal Electrode Surfaces
    Book title: Reference Module in Chemistry, Molecular Sciences and Chemical EngineeringEncyclopedia of Interfacial Chemistry. Surfaces and Electrochemistry
    Authors: José Manuel Orts, Antonio Rodes
    Editorial: Elsevier Science
    Pages: 1 - 7
    Date: 2017
    ISBN: 978-0-12-409547-2
  • Book chapter title: DFT and in situ Infrared Studies on Adsorption and Oxidation of Glycine, L-Serine and L-Alanine on gold electrodes
    Book title: Vibrational Spectroscopy at Electrified Interfaces
    Authors: Andrea P. Sandoval, José Manuel Orts, Antonio Rodes, Juan M. Feliu
    Editorial: John Wiley & Sons, Inc
    Pages: 241 - 265
    Date: 2013
    ISBN: 978-1-118-15717-6
  • Book chapter title: In-situ FTIR Studies on the Acid-Base Equilibria of Adsorbed Species on Well-Defined Metal Electrode Surfaces
    Book title: In situ spectroscopic studies of the adsorption at the electrode and electrocatalysis
    Authors: Berná, A.; Rodes, A.; Feliu, J.M.
    Editorial: Elsevier Science
    Pages: 1 - 32
    Date: 2007
    ISBN: 0-444-51870-3
  • Book chapter title: Electroquímica
    Book title: Problemas de Química Física
    Authors: Aldaz, A.; Herrero, E.; Climent, V.; Feliu, J.M.; Rodes, A.
    Editorial: Delta Publicaciones
    Pages: 587 - 653
    Date: 2006
    ISBN: 84-96477-48-7
  • Book chapter title: Vibrational Spectroscopy.
    Book title: Handbook of Fuel Cell Technology (Vol. 2)
    Authors: Rodes, A.; Pérez, J.M.; Aldaz, A.
    Editorial: John Wiley & Sons (UK)
    Pages: 191 - 219
    Date: 2003
    ISBN: 0-471-49926-9
RELEVANT CONFERENCE PAPERS
  • Title: Shell-Isolated Nanoparticle-Enhanced Raman Spectroscopy on Platinum Single Crystals
    Authors: Vidal-Iglesias, F.J.; Solla-Gullón, J.; Pérez, J.M.; Feliu, J.M.
    Type of participation: INVITED LECTURE
    Conference name: Kurt Schwabe Symposium
    Event type: Internacional no UE
    City of performance: Cracovia (Polonia)
    Date of performance: 16/09/2013
  • Title: Surface Infrared Spectroscopy Studies on the Surface Behavior of Small Carboxylic Acids and Amino acids on Gold Single Crystal and Thin Film Electrodes
    Authors: Antonio Rodes
    Type of participation: INVITED LECTURE
    Conference name: Spectroelectrochemistry (ISE Satellite Meeting)
    Event type: Unión Europea
    City of performance: Dresde (Alemania)
    Date of performance: 26/08/2012
  • Title: Spectroscopy of Adsorbed CO2 at M(111) Electrodes.
    Authors: Antonio Berná, Antonio Rodes, Juan M. Feliu
    Type of participation: INVITED LECTURE
    Conference name: International Symposium of Frontiers of Electrochemical Science and Technology,
    Event type: Internacional no UE
    City of performance: Xian (China)
    Date of performance: 12/08/2009
  • Title: The surface acid-base equilibrium of dicarboxilic acids
    Authors: Berna, A.; Rodes, A., Feliu, J.M.
    Type of participation: INVITED LECTURE
    Conference name: Joint Symposium on Fundamental Aspects of Nanostructured Materials and Electrocatalysis
    Event type: Internacional no UE
    City of performance: Sapporo (Japón)
    Date of performance: 22/06/2007
  • Title: Surface Enhanced Raman Spectroscopy applied to nanoparticulate electrodes of platinum-group metals and semiconductor oxides
    Authors: Gómez, R.; Pérez, J.M.
    Type of participation: INVITED LECTURE
    Conference name: International Symposium on Surface-enhanced Raman Scattering
    Event type: Internacional no UE
    City of performance: Nishinomiya (Japón)
    Date of performance: 28/08/2006