1. Ab initio studies of the optoelectronic structure of undoped and doped silicon nanocrystals and nanowires: the role of size, passivation, symmetry and phase
- Author
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Università degli studi di Modena e Reggio Emilia, CINECA, European Commission, Institut du Développement et des Ressources en Informatique Scientifique (France), Agence Nationale de la Recherche (France), Istituto Nazionale di Fisica Nucleare, Ministerio de Economía, Industria y Competitividad (España), Ministerio de Ciencia, Innovación y Universidades (España), Generalitat de Catalunya, Ossicini, Stefano, Marri, Ivan, Amato, Michele, Palummo, Maurizia, Canadell, Enric, Rurali, Riccardo, Università degli studi di Modena e Reggio Emilia, CINECA, European Commission, Institut du Développement et des Ressources en Informatique Scientifique (France), Agence Nationale de la Recherche (France), Istituto Nazionale di Fisica Nucleare, Ministerio de Economía, Industria y Competitividad (España), Ministerio de Ciencia, Innovación y Universidades (España), Generalitat de Catalunya, Ossicini, Stefano, Marri, Ivan, Amato, Michele, Palummo, Maurizia, Canadell, Enric, and Rurali, Riccardo
- Abstract
Silicon nanocrystals and nanowires have been extensively studied because of their novel properties and their applications in electronic, optoelectronic, photovoltaic, thermoelectric and biological devices. Here we discuss results from ab initio calculations for undoped and doped Si nanocrystals and nanowires, showing how theory can aid and improve comprehension of the structural, electronic and optical properties of these systems.
- Published
- 2020