Listar QF - Contribuciones a congresos científicos por título
Mostrando ítems 60-79 de 141
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Materiales conjugados en electrónica orgánica: aspectos electrónicos y estructurales
González-Cano, Rafael C.; López-Navarrete, Juan Teodomiro
; Ruíz-Delgado, María del Carmen (2016-12-01)
En nuestro actual “mundo electrónico” existe un creciente interés en el diseño y fabricación de dispositivos electrónicos orgánicos, con propiedades ecológicas y de alta calidad. A diferencia de aquéllos basados en el ... -
Materiales moleculares para electrónica orgánica
Ponce-Ortiz, Rocio (2014-02-10)
Se impartió un seminario especializado sobre materiales moleculares para electrónica orgánica. En el seminario, principalmente se revisaron las características deseables en los semiconductores orgánicos para obtener un ... -
Materials design for ambipolar devices: tuning orbital energetics in oligothiophene-naphthalimides semiconductors
Arrechea Marcos, Iratxe; De-la-Peña, Alejandro; Segura, J. L.; Ruíz-Delgado, María del Carmen; Ponce-Ortiz, Rocio; López-Navarrete, Juan Teodomiro[et al.] (2016-07-29)
Ambipolar organic field-effect transistors (OFETs), which can efficiently transport both holes and electrons, using a single type of electrode, are currently of great interest due to their possible applications in complementary ... -
Merging Theoretical Spectroscopy & Computational Chemistry: Thermally Activated Delayed Fluorescence (TADF) as a new light-emitting mechanism for OLEDs
(2019-02-11)We present recent advances and investigations related with a new mechanism for lightemission in conjugated molecules, Thermally Activated Delayed Fluorescence (TADF), seeking to harvest both the singlet and triplet excitons ... -
Modeling the effect of the electrode potential in SERS by electronic structure calculations.
Avila-Ferrer, Francisco Jose; Aranda Ruiz, Daniel; Roman-Perez, Jessica; Lopez-Ramirez, Maria Rosa; López-Tocón, Isabel; Arenas, Juan Francisco; Otero-Fernandez-de-Molina, Juan Carlos; Soto-Martin, 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-Fernandez-de-Molina, Juan Carlos; Avila-Ferrer, Francisco Jose; 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 ... -
Modelling the optical properties of Benzochalcogenodiazole-based Copolymers using Tuned Range-Separated Hybrid Functionals
Ruíz-Delgado, María del Carmen; Gámez Valenzuela, Sergio; Badía-Domínguez, María Irene; Herrero-Carvajal, Daniel; Seferos, D. S.; Gibson, G. L.; López-Navarrete, Juan Teodomiro[et al.] (2019-10-23)
Since the discovery of organic semiconductors, these systems have been deeply investigated and many strategies to module their optical and electronic properties have been established. In this sense, Donor-acceptor (D−A) ... -
Molécula de Tchischibabin distorsionada
La molécula de Tchischibabin1 representa un ejemplo de dirradical orgánico tipo kekulé. La química de dirradicales orgánicos ha tenido un renacer en los últimos años debido a las interesantes aplicaciones en ... -
Molecular and electronic structure investigation of encapsulated polytiophenes
Ruíz-Delgado, María del Carmen; Mosca, Sara; Capel-Ferrón, Cristina; Hernández-Jolín, Víctor; López-Navarrete, Juan Teodomiro; Brambilla, Luigi; Tommasini, Mateo; Milani, Alberto; Castiglioni, Chiara; Sugiyasu, Kazunori[et al.] (2017-07-03)
Insulated molecular wires (IMWs) are expected to be applied to various optoelectronic applications due to their unique photophysical, electronic, and mechanical properties which originate from the absence of -stacking.[1] ... -
Molecular diradicals
Casado-Cordon, Juan (2019)
Diradicals are defined as molecules with two unpaired electrons which define distinctive manifolds of singlet and triplet states. Diradicals have been recently shown to be fruitful candidates for applications such as ... -
An MS-CASPT2 Study of the Photodecomposition of 4- Methoxyphenyl Azide. Role of Internal Conversion and Intersystem Crossing
Aranda Ruiz, Daniel; Avila-Ferrer, Francisco Jose; López-Tocón, Isabel; Arenas, Juan F.; Otero-Fernandez-de-Molina, Juan Carlos; Soto-Martin, 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. ... -
Multiresponsive chromic soft materials: formation of macrocycles from carbazole-based biradicaloids
Ruíz-Delgado, María del Carmen (2018-09-06)
-conjugated biradical compounds become essential building blocks in DCC (dynamic covalent chemistry).1 This field is based on the creation of structural scaffolds based on chemical components which interact through strong ... -
Multiresponsive chromic soft materials: formation of strongly coupled σ-dimers from IndoloCarbazole-based biradicaloids
Hartl, Frantisek; li, Hongxiang; Badía-Domínguez, María Irene; Sancho García, Juan Carlos; Pérez Guardiola, Andrés; Rodríguez-González, Sandra; López-Navarrete, Juan Teodomiro; Hernández-Jolín, Víctor; Ruíz-Delgado, María del Carmen[et al.] (2018-12-18)
Dynamic covalent chemistry is focused on the creation of structural scaffolds based on chemical components that interact through strong but reversible bonds. In fact, dynamic covalent bonds receive lot of attention because ... -
New acyl hydrazones with promising photophysical properties
Hydrazones have become of great interest for the scientific community due to their promising chemical properties and biological activities. In this group of compounds, the acyl or aryl hydrazones, that are Schiff bases ... -
Novel push-pull chromophores to prepare electro-optic modulators
Gámez-Valenzuela, Sergio; Neusser, David; Hoppe, Niklas; Berroth, Manfred; Villacampa, Belén; López-Navarrete, Juan Teodomiro; Rothe, Christian; Ludwigs, Sabine; Andreu, Raquel; Ruíz-Delgado, María del Carmen[et al.] (2018-01-15)
In recent years, a large number of push-pull organic molecules have been proposed as promising candidates for electronic and optical applications. Generally, the main effort has been focused on the design of chromophores ... -
Novel U-Shaped D-A-D π-conjugated Systems with Mechanochromic Properties: An Experimental and Theoretical Vibrational Spectroscopic Investigation
Fernández-Palacios, Sara; Takeda, Y.; Minakata, S.; López-Navarrete, Juan Teodomiro; Moreno-Oliva, Maria; Ruíz-Delgado, María del Carmen[et al.] (2020-01-29)
Π-conjugated compounds have been widely studied in the last few decades due to their huge field of application in organic electronics. Specifically, stimuli-responsive Π-conjugated materials which are sensitive to external ... -
Oligo(3,4-etilendioxitiofeno-vineleno)s
Mayorga-Burrezo, Paula; Ponce-Ortiz, Rocio; De-la-Cruz, Pilar; López-Navarrete, Juan Teodomiro; Langa-de-la-Puente, Fernando; Casado-Cordon, Juan[et al.] (2014-02-18)
Desde el descubrimiento de las propiedades conductoras del poliacetileno (PA)1 han sido muchas las modificaciones en la síntesis química que, manteniendo la estructura de enlaces conjugados, es decir, alternancia de dobles ... -
Oligomers of thieno[3,4-c]pyrrole-4,6-dione: Raman spectra
Casado-Cordon, Juan (2017-07-05)
Oligothiophenes are π-conjugated compounds made by concatenation of thiophenes. [1] Due to the low aromaticity of thiophene, inter-ring π-electron delocalization is favored which has strong implication in their electro-optical ... -
Oligorylene nanographenes and x-shape multiradicaloid molecules: structural insights from Raman spectroscopy
Casado-Cordon, Juan (2018-06-25)
Raman spectroscopy has been the technique of choice for the structural study of carbonaceous materials, including graphitic substrates, carbon nanotubes, fullerenes, conducting polymers and graphene.1 In the material science ... -
Organic ambipolar semiconductors for TFT applications
Ponce-Ortiz, Rocio; Arrechea-Marcos, Iratxe; López Espejo, Guzmán; Segura, José L.; López-Navarrete, Juan Teodomiro (2016-09-27)
In the last years we have devoted some effort to the search of new high-mobility semiconductors with ambipolar performances, good processability and environmental stability. Our approach, which is one of the most widely ...