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Cálculos DFT en materiales orgánicos conjugados: importancia en el análisis de los datos experimentales
González-Cano, Rafael C.; López-Navarrete, Juan Teodomiro; Ruíz-Delgado, María del Carmen (2017-12-22)Actualmente, y cada vez con mayor intensidad, los materiales orgánicos policonjugados se están erigiendo como la alternativa ecológica real al uso de silicio en materiales para dispositivos electrónicos. Este hecho se debe ... -
Carbazole-based biradicaloids as potential building blocks for dynamic covalent chemistry
Ruíz-Delgado, María del Carmen (2018-12-18)Pi-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 ... -
Cyclic Triindoles and Tetraindoles: Substituent and Symmetry Effects on their Structural and Electronic Characteristics
Ruíz-Delgado, María del Carmen; Ruiz, Constanza; López-Navarrete, Juan Teodomiro; Gómez-Lor, Berta (2016-10-07)During the last decade heptacyclic 10,15-dihydro-5H-diindolo[3,2-a:3',2'-c]carbazole (triindole) has been extensively studied as a new π-conjugated platform in the construction of self-assembling materials for optoelectronics. ... -
Estudio de estados excitados y deslocaclización de carga en oligotiofenos ramificados
Ruíz-Delgado, María del Carmen; Gonzalez-Cano, Rafael Carlos; Casado-Cordon, Juan; López-Navarrete, Juan Teodomiro (2013-07-30)Los politiofenos ramificados tridimensionales (3D) y oligotiofenos dendriméricos han sido recientemente desarrollados en la búsqueda de mejoras en los materiales para aplicaciones fotovoltaicas (por ejemplo, un mayor área ... -
Estudio de las propiedades inter- e intramoleculares de oligotienoacenos y polímeros heteroaromáticos
Capel-Ferrón, Cristina (Universidad de Málaga, Servicio de Publicaciones y Divulgación Científica, 2014)En esta Tesis doctoral se estudian polímeros derivados de tiofeno, furano y selenofeno, con el fin de estimar la longitud de conjugación efectiva, morfología en estado sólido y el efecto de la polidispersidad de estos ... -
Flexibilidad y rigidez en oligotiofenos y derivados de oligoacenos: aspectos estructurales
González-Cano, Rafael Carlos (Servicio de Publicaciones y Divulgación Científica, 2014)En esta Tesis doctoral se estudian sistemas caracterizados estructuralmente por: i) un esqueleto oligomérico o polimérico basado en anillos de tiofeno flexible debido a la inclusión de anillos y cadenas de tiofeno a modo ... -
Formation of stimuli-responsive cyclophanes by self-assembly: the case of carbazole-based biradicals
Ruíz-Delgado, María del Carmen; Badía-Domínguez, Irene; Hernández-Jolín, Víctor; Hartl, Frantisek; Hongxiang, Li; [et al.] (2019-01-16)Dynamic covalent bonds has recently received lot of attention because of their unique feature to become reversible under mild conditions.[1] In this context, π-conjugated biradical compounds has emerged as essential building ... -
Impact of the dicyanomethylene substitution position on the cyclophane macrocycle formation in carbazole-based biradicals
Badía-Domínguez, Irene; Sakamaki, D; Seki, S.; Hartl, F.; López-Navarrete, Juan Teodomiro; [et al.] (2019-01-16)π-Conjugated biradical compounds, featuring unique unsaturated valences and radical centers in the ground state, are fundamentally important for understanding the nature of chemical bonds and have potential applications ... -
Impact of the Intermolecular Interactions on the Electronic and Charge-Transport Properties of Organic Materials: A Joint Experimental and Theoretical Approach
Ruíz-Delgado, María del Carmen (2018-01-15)The use of organic materials to design electronic devices has actually presented a broad interest because they constitute an ecological and suitable resource for our current "electronic world". These materials provide ... -
Improved prediction of the optical properties in pi-conjugated polymers: the case of benzochalcogenodiazole-based copolymers with different heteroatom substitution
Gámez Valenzuela, Sergio; Badía-Domínguez, Irene; Herrero-Carvajal, Daniel; Gibson, G. L.; Seferos, D. S.; [et al.] (2019-01-16)Donor−acceptor (D−A) approach to conjugated polymer design has become a widely used method for preparing conjugated polymers with narrow band gaps.1 One outstanding D−A polymer is poly(cyclopentadithiophene)benzothiadiazole, ... -
Materials design for ambipolar devices: tuning orbital energetics in oligothiophene-naphthalimides semiconductors
Arrechea Marcos, Iratxe; De la Peña, A.; Segura, J. L.; Ruíz-Delgado, María del Carmen; Ponce Ortiz, R.; [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 ... -
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, Franktišek; li, Hongxiang; Badía-Domínguez, Irene; Sancho García, Juan Carlos; Pérez Guardiola, Andrés; [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 ... -
Novel push-pull chromophores to prepare electro-optic modulators
Gámez-Valenzuela, Sergio; Neusser, David; Hoppe, Niklas; Berroth, Manfred; Villacampa, Belén; [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 ... -
Oligotiofenos funcionalizados simétrica o asimétricamente con aplicaciones en optoelectrónica: estudio espectroscópico y teórico
Ruíz-Delgado, María del Carmen (Universidad de Málaga,Servicio de Publicaciones, 2006)El objetivo principal del trabajo de investigación ha consistido en racionalizar las propiedades estructurales, electrónicas y ópticas de varias familias de oligotiofenos precursores de sistemas orgánicos electroactivos ... -
pi-Dimerization of Oligothienoacene Radical Cations
Ruíz-Delgado, María del Carmen; Capel-Ferrón, Cristina; Capdevila-Cortada, Marçal; Novoa, Juan j; Hartl, Frantisek; [et al.] (2015-06-23)Oligothienoacenes, the fused-ring analog of α-linked oligothiophenes, belong to the most promising candidates for organic electronic applications. This is in part due to their fully planar structure that avoids conformational ... -
SpectroscopicTechniques and DFT Calculations to Understand Charge Transport Mechinisms in OFETs
Harbuzaru, Alexandra; Arrechea Marcos, Iratxe; López-Navarrete, Juan Teodomiro; Ponce-Ortiz, Rocio; Ruíz-Delgado, María del Carmen; [et al.] (2019-02-11)The organic electronics research field has advanced tremendously in the last decades, but there is still an incomplete understanding of the main mechanisms governing charge injection and transport in such devices. The ... -
Tuning of the electronic levels of oligothiophene-naphthalimide semiconductors: in the search of ambipolar behaviour
Arrechea-Marcos, Iratxe; De-la-Peña, Alejandro; Mancheño, María José; Ruíz-Delgado, María del Carmen; Segura, José Luis; [et al.] (2016-10-18)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 ... -
π-Dimerization of Heptathienoacene Radical Cations
Ruíz-Delgado, María del Carmen; Capel-Ferrón, Cristina; Capdevila-Cortada, Marçal; Hartl, F.; Hernández-Jolín, Víctor; [et al.] (2014-02-24)Oligothienoacenes, the fused-ring analog of pi-linked oligothiophenes, belong to the most promising candidates for organic electronic applications. This is in part due to their fully planar structure that avoids conformational ...