• Molecular Materials For Organic Electronics. 

  González Núñez, Raúl; Martínez, Gabriel; Ávila-Rovelo, Nelson Ricardo; Ruiz-Carretero, Amparo; Ponce-Ortiz, Rocío (2023)

  Organic materials have proven to be efficient active materials in electronics, being possible alternatives to inorganic semiconductors in electronic devices, such as organic field effects transistors (OFETs) or organic ...

• Computational study of coronoid carbazole based Macrocycles: influence of isomerism. 

  Muñoz Alba, Fernando; Badía-Domínguez, María Irene; Sancho García, Juan Carlos; Ruiz-Delgado, María del Carmen (2023)

  Carbazole (Cz) units have been recognized as crucial conjugated cores in organic electronics due to their good electro- and photoactive properties, such as high hole-transporting mobilities, when compared to other heterocycles. ...

• Truncated conjugation in fused heterocycle-based conducting polymers: when greater planarity does not enhance conjugation. 

  Marín Beloqui, José Manuel (2023-07-03)

  One of the main assumptions in the design of new conjugated polymer materials for their use in organic electronics is that a higher coplanarity leads to greater conjugation along the polymer backbone. Conventionally, a ...

• The heteroatom effect in ambipolar diradicals. 

  Moles Quintero, Sergio; Harbuzaru, Alexandra; Marín Beloqui, Jose Manuel; González Nuñez, Raúl; Ponce-Ortiz, Rocío; Casado-Cordón, Juan[et al.] (2023)

  The ability to efficiently transport both holes and electrons makes ambipolar organic materials appealing architectures in organic electronics for the development of p- and n-channel devices. However, most of the organic ...

• Dynamic Electrochemistry of Anthanthrone. 

  Cárdenas Valdivia, Abel; Lirette, Fréderic; Marín-Beloqui, José Manuel; Casanova, David; Morin, Jean-François; Casado-Cordón, Juan[et al.] (2023)

  In this investigation, we present a “nanographene” based on the low-cost commercially available 4,10-dibromoanthanthrone building block, where the anthanthrone core can be viewed as a fusion of two anthracene moieties with ...

• Comparative Study of p-Aminothiophenol Adsorption by Surface-Enhanced Raman Spectroscopy 

  López-Ramírez, María Rosa; Fernández, María de la Cabeza; Alvear-Fernández, Alexis; Contreras-Cáceres, Rafael (2023-03-28)

  The organic compound p-aminothiophenol (PATP, HS-Ph-NH2) has become very popular for checking the enhancement capability of novel substrates due to its very intense SERS spectra. SERS of PATP on metal nanoparticles is ...

• In silico design and Raman spectroscopy for a better understanding of the electronic properties of 2D polymers 

  Ruíz-Delgado, María del Carmen (2023-03-08)

  2D organic semiconducting polymers have emerged as an important class of materials that offer high potential for a variety of applications, such as energy storage, sensing or organic electronics. However, the design of ...

• Electric field and solvent model for Electrochemical SERS: excited-state and enhancement tuning 

  García, Francisco; Aranda Ruiz, Daniel; Ávila, Francisco; Otero-Fernández-de-Molina, Juan Carlos (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 ...

• Understanding the effect of rigid linkers on the optoelectronic properties of naphthalimide-oligothiophene semiconductors 

  Harbuzaru, Alexandra; Alonso-Navarro, Matías J.; Segura, José L.; Ponce-Ortiz, Rocío (2023-01)

  π-conjugated small molecules and polymers are extensively used in organic electronics because of their low-cost manufacturing, light weight, good processability and capability to be deposited on flexible substrates in ...

• Singlet-triplet energy gaps modulation of Diindeno [1,2-b: 1’2’-g] anthracene molecular family 

  Cárdenas Valdivia, Abel; Dressler, Justin J.; Kishi, Ryohei; Rudebusch, Gabriel E.; Ventura, Austin M.; Chastain, Brian E.; Gómez-García, Carlos J.; Zakharov, Lev N.; Nakano, Masayoshi; Casado-Cordón, Juan; Haley, Michael M.[et al.] (2022)

  Nowadays there is a large interest in organic materials based on diradical polycyclic aromatic hydrocarbons (PAHs) due to their unique properties, such as narrow frontier-orbital energy gaps, strong absorption in the visible ...

• Carbazole and indolcarbazole-based systems: impact of the structural changes on the system properties 

  Badía-Domínguez, María Irene; Hartl, Frantisek; Li, Hongxiang; Seki, Shu; Sakamaki, Daisuke; Negri, Fabrizia; López Navarrete, Juan T.; Hernández-Jolín, Víctor; Ruíz-Delgado, María del Carmen[et al.] (2022)

  π-Conjugated diradical compounds, featuring unique unsaturated valences and radical centres in the ground state, are fundamentally important for understanding the nature of chemical bonds and have potential applications ...

• Electric field and charged cluster dual model for Potential Depdendent Surface-Enhanced Raman Spectroscopy 

  Otero-Fernández-de-Molina, Juan Carlos; Ávila-Ferrer, Francisco José; 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 ...

• Insight of lichens as ideal models for astrobiological studies analyzed by Raman spectroscopy 

  López-Ramírez, María Rosa; Sancho, L.G.; de Vera, J. P.; Baqué, M.; Rabbow, E.; Martínez-Frías, J.; de la Torre Noetzel, R.[et al.] (2022)

  Exposure experiments of different species to space conditions are essential because real space conditions with different radiation sources like ionizing radiation, UV-radiation, X-rays, gamma-ray from even galactic radiation, ...

• Triplet-charge annihilation in a small molecule donor: acceptor blend as a major loss mechanism in organic photovoltaics 

  Marín-Beloqui, José Manuel; Casado-Cordón, Juan (2022-06-23)

  Organic photovoltaics (OPV) are close to reaching a landmark 20% device efficiency.[1] One of the proposed reasons that OPVs have yet to attain this milestone is their propensity toward triplet formation. In this ...

• Diradicals Produce Ambipolar Transistors: What and Why 

  Casado-Cordón, Juan; Moles Quintero, Sergio; Kato, Shin-ichiro; Negri, Fabrizia (ISNA-19, 2022-07-04)

  organic conjugated diradicals have gaining interest in the recent times given their uses in different formats of electronic applications encompassing OFETs,1 non-linear optical dyes, chromophores for singlet fission in ...

• Polyconjugation for Organic Electronics 

  Medina Rivero, Samara; Casado-Cordón, Juan (Gordon conference, 2022-06-19)

  Since the discovery of the semiconducting properties of π-conjugated organic oligomers and polymers, many efforts have been devoted to generating structural features that bring about new and outstanding properties for ...

• Cyclophane self-assembly from carbazole-based diradicals 

  Badía-Domínguez, María Irene; Hartl, Franktišek; Hongxiang, Li; Shu, Seki; López-Navarrete, Juan Teodomiro; Hernández-Jolín, Víctor; Ruíz-Delgado, María del Carmen[et al.] (2022-06-30)

  The investigation of π-conjugated diradical compounds, featuring radical centers in the ground state, is key to understanding the nature of chemical bonds.[1] Occasionally, these systems can form long σ C-C bonds between ...

• Piezochromic properties of a D-A-D platform: A joint experimental and theoretical perspective 

  Fernández-Palacios, Sara; Peña-Álvarez, Miriam; Takeda, Y.; Minakata, S.; Moreno-Oliva, María; Ruíz-Delgado, María del Carmen[et al.] (2022-06-30)

  Organic π-conjugated molecules with mechanochromic luminescence properties have attracted great interest in the last two decades due to their numerous applications in the optoelectronic field, such as sensors, probes and ...

• Studying the electronic and charge transport properties of two cyclocarbazole derivates 

  González-Núñez, Raúl; Badía-Domínguez, María Irene; Gámez-Valenzuela, Sergio; Yang, Anna; Moore, Jeffrey; Huang, Feihe; Hernández-Jolín, Víctor; Ruíz-Delgado, María del Carmen; Ponce-Ortiz, Rocío[et al.] (2022-06-30)

  Molecular systems have proven to be efficient active materials in electronics, being possible alternatives to the inorganic semiconductors used nowadays in electronic devices. For this reason, organic electronics has emerged ...

• Untangling the eclectronic propierties of triindole-based semiconductors 

  Gámez-Valenzuela, Sergio; Ponce-Ortiz, Rocío; Gómez-Lor, Berta; Ruíz-Delgado, María del Carmen (2022-06-30)

  Organic semiconductors have emerged as an important class of materials that offer interesting prospects for high throughput, low-cost and flexible electronic circuits. In this sense, triindole-based systems have demonstrated ...

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