QF - Contribuciones a congresos científicos
Envíos recientes
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Singlet-triplet energy gaps modulation of Diindeno [1,2-b: 1’2’-g] anthracene molecular family
(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
(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
(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
(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
(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
(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
(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
(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
(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
(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
(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 ... -
Electronic properties of new polycyclic aromatic mono and dicarboximides
(2022-06)A series of nitrogen-doped polycyclic aromatic mono and dicarboximides (PADI) has been synthesized. Their interest lies in the fact that, unlike other PADI systems, this new family of compounds was synthesized by an ... -
Modelling potential dependent surface-enhanced raman scattering: electric field and charged cluster dual model
(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 ... -
New acyl hydrazones with promising photophysical properties
(2022)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 ... -
Triindoles as excellent platforms for organic semiconductors: from crystalline molecules to porous polymers
(2022)Organic semiconductors are one of the most promising candidates for next-generation electronics applications. In this sense, triindole-based systems have demonstrated great potential as p-type semiconductors in organic ... -
Investigation of the charge-transport and optoelectronic properties of carbazole-based macrocycles
(2022)Molecular systems have proven to be efficient active materials in electronics, being possible alternatives to the inorganic semiconductors used nowadays in electronic devices. In this project, an experimental and theoretical ... -
Transient Absorption Spectroscopy (TAS) for the study of organic materials for energy conversion
(2022-03)Transient Absorption Spectroscopy (TAS) is a pump probe technique with the ability of directly probe the photogenerated species and their evolution with time. This technique consists in two light sources, one of them ... -
Diradicaloids from [4n] antiaromatic circuits
(2022-03)Diradicaloid molecules[1] represent cornerstone systems to explore the nature of the chemical bond and the validity of its theories. Recently, they have also gained relevance as multipurpose substrates for organic electronic ... -
Polyconjugation from molecular spectroscopy
(2022-03)The discovery of the semiconducting properties of π-conjugated organic oligomers and polymers has been a turning point in the development of new electronic devices and transformed the study of these systems in an emerging ... -
Spectroscopic techniques as tools to analyze charge transport processes in organic field effect transistors
(2022)The organic electronics research field has advanced tremendously in the last decades, already rendering semiconductors able to compete with their inorganic counterparts. However, the final blossoming of this field would ...