Electronic structure and properties of multifunctional systems: bisdithiazolyl-based materials Authors Cristina Roncero Universitat de Barcelona Mercè Deumal Universitat de Barcelona Jordi Ribas Universitat de Barcelona Ibério de P. R. Moreira Universitat de Barcelona Keywords: Organic molecular materials, radicals, multifunctional materials, electrical conduction, electronic structure. Abstract 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.Keywords: Organic molecular materials, radicals, multifunctional materials, electrical conduction, electronic structure. Downloads Download data is not yet available. Author Biography Cristina Roncero, Universitat de Barcelona Downloads PDF (Català) Issue No. 17 (2018) Section Articles License The intellectual property of articles belongs to the respective authors. On submitting articles for publication to the journal Revista de la Societat Catalana de Química, authors accept the following terms:Authors assign to Catalan Society of Chemistry (a subsidiary of Institut d’Estudis Catalans) the rights of reproduction, communication to the public and distribution of the articles submitted for publication to Revista de la Societat Catalana de Química.Authors answer to Catalan Society of Chemistry for the authorship and originality of submitted articles.Authors are responsible for obtaining permission for the reproduction of all graphic material included in articles.Catalan Society of Chemistry declines all liability for the possible infringement of intellectual property rights by authors.The contents published in the journal, unless otherwise stated in the text or in the graphic material, are subject to a Creative Commons Attribution-NonCommercial-NoDerivs (by-nc-nd) 3.0 Spain licence, the complete text of which may be found at http://creativecommons.org/licenses/by-nc-nd/3.0/es/deed.en. Consequently, the general public is authorised to reproduce, distribute and communicate the work, provided that its authorship and the body publishing it are acknowledged, and that no commercial use and no derivative works are made of it.The journal is not responsible for the ideas and opinions expressed by the authors of the published articles.
