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Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/148345
Electronic structure and properties of multifunctional systems: bisdithiazolyl-based materials
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[cat] Els materials orgànics moleculars cada vegada tenen més aplicacions en la fabricació de dispositius electrònics per les seves propietats òptiques i de conducció. Quan els elements moleculars són radicals, cal tenir en compte alhora la càrrega i l'espín de l'electró desaparellat. La racionalització de l'estructura i de les propietats d'aquests materials multifuncionals requereix una descripció acurada de la seva estructura electrònica. En aquest treball s'analitza l'aplicabilitat dels models actuals en la modelització de la conducció elèctrica d'aquests materials, emprant tota una família de compostos derivats del bisditiazolil com a sistemes model.
[eng] Molecular organic materials are finding increasing application in the manufacture of electronic devices thanks to their optical and conduction properties. When the molecular moieties are radicals, both charge and spin of the unpaired electron should be taken into account. The full rationalization of the structure and properties of these multifunctional materials requires a careful description of their electronic structure. In this paper, the applicability of the current models in the modeling of the electrical conduction of these materials is analyzed, using the family of bisdithiazolyl-based compounds as model systems.
[eng] Molecular organic materials are finding increasing application in the manufacture of electronic devices thanks to their optical and conduction properties. When the molecular moieties are radicals, both charge and spin of the unpaired electron should be taken into account. The full rationalization of the structure and properties of these multifunctional materials requires a careful description of their electronic structure. In this paper, the applicability of the current models in the modeling of the electrical conduction of these materials is analyzed, using the family of bisdithiazolyl-based compounds as model systems.
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RONCERO, Cristina, et al. Electronic structure and properties of multifunctional systems: bisdithiazolyl-based materials. Revista de la Societat Catalana de Química. 2018. Vol. 17, num. 86-95. ISSN 1576-8961. [consulted: 13 of June of 2026]. Available at: https://hdl.handle.net/2445/148345