Listar por autor "Otero-Fernández-de-Molina, Juan Carlos"
Mostrando ítems 21-40 de 43
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Fundamentals and Applications of Surface-Enhanced Raman Spectroscopy (SERS)
López-Ramírez, María Rosa
; Otero-Fernández-de-Molina, Juan Carlos; Soto-Martín, Juan; Castro, Jose Luis; Arenas Rosado, Juan Francisco (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
López-Ramírez, María Rosa; Guerrero, A.R.; Castro, Jose Luis; Otero-Fernández-de-Molina, Juan Carlos; 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; Ruiz-Delgado, María del Carmen; Ponce-Ortiz, Rocío; Otero-Fernández-de-Molina, Juan Carlos; López-Navarrete, Juan Teodomiro; 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 ... -
Linear vibronic coupling approach for surface-enhanced raman scattering: quantifying the charge-transfer enhancement mechanism
García-González, Francisco; Otero-Fernández-de-Molina, Juan Carlos; Ávila-Ferrer, Francisco José; Santoro, Fabrizio; Aranda, Daniel (ACS, 2024)
The outstanding amplification observed in surface-enhanced Raman scattering (SERS) is due to several enhancement mechanisms, and standing out among them are the plasmonic (PL) and charge-transfer (CT) mechanisms. The ... -
Modeling the effect of the electrode potential in SERS by electronic structure calculations.
Ávila-Ferrer, Francisco José; Aranda Ruiz, Daniel; Roman-Perez, Jessica; López-Ramírez, María Rosa; López-Tocón, Isabel; Arenas Rosado, Juan Francisco; Otero-Fernández-de-Molina, Juan Carlos; Soto-Martín, Juan[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-Fernández-de-Molina, Juan Carlos; Ávila-Ferrer, Francisco José; Aranda Ruiz, 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 Ruiz, Daniel; Ávila-Ferrer, Francisco José; López-Tocón, Isabel; Arenas Rosado, Juan Francisco; Otero-Fernández-de-Molina, Juan Carlos; Soto-Martín, Juan[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
(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 ... -
Proving the Dual Electronic Structure of Charged Metal-Molecule Interfaces: Surface-Enhanced Raman Scattering of Cyanide Adsorbed on a Nanostructured Silver Electrode
Valdivia Mantas, Samuel; Aranda, Daniel; Ávila-Ferrer, Francisco José; Soto-Martín, Juan; López-Tocón, Isabel; Otero-Fernández-de-Molina, Juan Carlos[et al.] (ACS Publications, 2020-07-21)
Experimental and theoretical calculations confirm, for the first time, the existence of two different kinds of electronic structures of a surface complex formed by a particular molecule bonded to charged metal electrodes, ... -
Raman, SERS and DFT study of chemically-adsorbed thiobenzoic acid on silver nanoparticles
López-Ramírez, María Rosa; Arenas Rosado, Juan Francisco; Otero-Fernández-de-Molina, Juan Carlos; 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-Benigno, Silvia Patricia; Schäfer, Gerhard; Görgülü, Rabia; Otero-Fernández-de-Molina, Juan Carlos; 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 ... -
Selection rules of surface-enhanced Raman scattering: the role of the out-of-plane vibrations
Aranda Ruiz, Daniel; Valdivia Mantas, Samuel; Ávila-Ferrer, Francisco José; Soto-Martín, Juan; López-Tocón, Isabel; Otero-Fernández-de-Molina, Juan Carlos[et al.] (2019-07-25)
The electromagnetic/plasmonic (SERS-PL) and the chemical (usually involving resonant photoinduced metal-adsorbate (M-A) charge transfer processes (SERS-CT:M-A+hn-->M+-A-)) mechanisms are recognized as the two main contributions ... -
Sensing Bisphenol A by Means of Surface-Enhanced Raman Spectroscopy and DFT Calculations to Elucidate the Enhancement Mechanism That Dominates the Spectrum
Lemos de Souza, Michele; Valdivia Mantas, Samuel; Otero-Fernández-de-Molina, Juan Carlos; López-Tocón, Isabel (IOAP-MDPI, 2023-01-20)
Surface-Enhanced Raman Spectroscopy (SERS) was employed as a spectroscopic tool to detect Bisphenol A (BPA), a building block in polycarbonate and epoxy resins or an additive in other polymer plastics like PVC, which has ... -
SERS study of different species of p-aminothiophenol adsorbed on silver nanoparticles
López-Ramírez, María Rosa; Ávila-Ferrer, Francisco José; Otero-Fernández-de-Molina, Juan Carlos; Soto-Martín, Juan (2018-06-01)
In the present work we have focused the discussion on the experimental and theoretical SERS spectra of the organic compound pATP recorded on silver colloids. The huge SERS of pATP on metal substrates is significantly ... -
Surface-enhanced photoinduced charge transfer processes in metal-molecule nanoclusters
Centeno-Benigno, Silvia Patricia; Ruano, Cristina; Roman-Perez, Jessica; López-Tocón, Isabel; Soto-Martín, Juan; Otero-Fernández-de-Molina, Juan Carlos[et al.] (2013-10-29)
This work deals with the unexplained efficiency of the electrode potential (EV) in tuning the energy of Charge Transfer (ECT) electronic states of hybrid systems formed by molecules and metal nanostructures. Huge energy ... -
Surface-Enhanced Raman spectroscopy of thiobenzoic acid on metal nanoparticles
López-Ramírez, María Rosa; Arenas Rosado, Juan Francisco; Otero-Fernández-de-Molina, Juan Carlos; Castro, Jose Luis (2014-07-31)
Molecules adsorbed on some metal surfaces such as silver, copper and gold, can exhibit enormous Surface-enhanced Raman Scattering (SERS). The SERS effect has historically been associated with substrate roughness on two ... -
The influence of electrode potential on SERS through the electronic structure of nanostructured metal-cyanide interfaces
Otero-Fernández-de-Molina, Juan Carlos; García-González, Francisco; Aranda Ruiz, Daniel; Ávila-Ferrer, Francisco José (2022-03-15)
Experimental and theoretical calculations confirm the existence of two different electronic structures of a surface complex formed by a particular molecule bonded to charged metal electrodes, clusters, or nanoparticles. ... -
The role of the electrolyte on the SERS spectra of pyridine
SERS spectra of pyridine has been recorded on a silver electrode in a potential range from 0.0 to -1.20 V with a saline solution, pyridine / KCl (0.1M / 0.1M), by using the 514.5 nm exciting line by us [1]. Under these ... -
Theoretical Approaches for Modeling the Effect of the Electrode Potential in the SERS Vibrational Wavenumbers of Pyridine Adsorbed on a Charged Silver Surface
Aranda, Daniel; Valdivia Mantas, Samuel; Soto-Martín, Juan; López-Tocón, Isabel; Ávila, Francisco; Otero-Fernández-de-Molina, Juan Carlos[et al.] (Frontiers in Chemistry, section Analytical Chemistry, 2019-06-05)
Vibrational wavenumbers of pyridine adsorbed on a silver electrode have been correlated to the calculated ones from different theoretical approaches based on DFT methods. The vibrational tuning caused by the electrode ... -
Using SERS to probe electric capacitive enhancement in nanometer-size hot spots
Centeno-Benigno, Silvia Patricia; Ruano, Cristina; Roman-Perez, Jessica; López-Ramírez, Jéssica; Soto-Martín, Juan; Otero-Fernández-de-Molina, Juan Carlos[et al.] (2014-09-10)
Although the electromagnetic mechanism related to localized plasmons of the metal is the most important contribution in SERS, the chemical interaction between metal and molecule plays a crucial role. In SERS electrochemical ...