Ab initio studies of the optoelectronic structure of undoped and doped silicon nanocrystals and nanowires: the role of size, passivation, symmetry and phase

Ossicini, Stefano; Marri, Ivan; Amato, Michele; Palummo, Maurizia; Canadell, Enric; Rurali, Riccardo

Por favor, use este identificador para citar o enlazar a este item: http://hdl.handle.net/10261/215978

COMPARTIR / EXPORTAR:

SHARE BASE	Comparte tu historia de Acceso Abierto
Visualizar otros formatos: MARC \| Dublin Core \| RDF \| ORE \| MODS \| METS \| DIDL \| DATACITE
Refman EndNote Bibtex RefWorks Excel CSV PDF DataCite Send via email

Campo DC	Valor	Lengua/Idioma
dc.contributor.author	Ossicini, Stefano	es_ES
dc.contributor.author	Marri, Ivan	es_ES
dc.contributor.author	Amato, Michele	es_ES
dc.contributor.author	Palummo, Maurizia	es_ES
dc.contributor.author	Canadell, Enric	es_ES
dc.contributor.author	Rurali, Riccardo	es_ES
dc.date.accessioned	2020-07-03T11:11:53Z	-
dc.date.available	2020-07-03T11:11:53Z	-
dc.date.issued	2020-06-01	-
dc.identifier.citation	Faraday Discussions 222: 217-239 (2020)	es_ES
dc.identifier.issn	1359-6640	-
dc.identifier.uri	http://hdl.handle.net/10261/215978	-
dc.description.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.	es_ES
dc.description.sponsorship	S. O. acknowledges support/funding from University of Modena and Reggio Emilia under project “FAR2017INTERDISC”. S. O. and I. M. thank the Super-Computing Interuniversity Consortium CINECA for support and high-performance computing resources under the Italian Super-Computing Resource Allocation (ISCRA) initiative, PRACE for awarding us access to the resource MARCONI HPC cluster based in Italy at CINECA. I. M. acknowledges support/funding from European Union H2020-EINFRA-2015-1 and H2020-INFRAEDI-2018-1 programs under grant agreement No. 676598 and No. 824143, project MaX-MAterials at the eXascale. M. A. greatly acknowledges the Transnational Access Programme of the HPC-EUROPA3 (project HPC17PB9IZ). Some of the high-performance computing (HPC) resources for this project were granted by the Institut du development et des ressources en informatique scientifique (IDRIS) under the allocation A0040910089 via GENCI (Grand Equipment National de Calcul Intensif). This work was supported by the ANR HEXSIGE project (ANR-17-CE030-0014-01) of the French Agence Nationale de la Recherche. M. P. acknowledges INFN for financial support through the National project Nemesys. We also acknowledge financial support by the Ministerio de Economía, Industria y Competitividad (MINECO) and MICIU (Ministerio de Ciencia y Universidades) under Grants FEDER-MAT2017-90024-P, FIS2015-64886-C5-4-P and PGC2018-096955-B-C44-P, the Severo Ochoa Centres of Excellence Program under Grant SEV-2015-0496 and the Generalitat de Catalunya under Grant 2017 SGR 1506.	es_ES
dc.language.iso	eng	es_ES
dc.publisher	Royal Society of Chemistry (UK)	es_ES
dc.relation	info:eu-repo/grantAgreement/EC/H2020/676598	es_ES
dc.relation	info:eu-repo/grantAgreement/EC/H2020/824143	es_ES
dc.relation	info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/MAT2017-90024-P	es_ES
dc.relation	info:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/FIS2015-64886-C5-4-P	es_ES
dc.relation	info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PGC2018-096955-B-C44-P	es_ES
dc.relation	info:eu-repo/grantAgreement/MINECO/Plan Estatal de Investigación Científica y Técnica y de Innovación 2013-2016/SEV-2015-0496	es_ES
dc.relation.isversionof	Postprint	es_ES
dc.rights	openAccess	en_EN
dc.title	Ab initio studies of the optoelectronic structure of undoped and doped silicon nanocrystals and nanowires: the role of size, passivation, symmetry and phase	es_ES
dc.type	artículo	es_ES
dc.description.peerreviewed	Peer reviewed	es_ES
dc.relation.publisherversion	http://dx.doi.org/10.1039/c9fd00085b	es_ES
dc.embargo.terms	2021-06-01	es_ES
dc.contributor.funder	Università degli studi di Modena e Reggio Emilia	es_ES
dc.contributor.funder	CINECA	es_ES
dc.contributor.funder	European Commission	es_ES
dc.contributor.funder	Institut du Développement et des Ressources en Informatique Scientifique (France)	es_ES
dc.contributor.funder	Agence Nationale de la Recherche (France)	es_ES
dc.contributor.funder	Istituto Nazionale di Fisica Nucleare	es_ES
dc.contributor.funder	Ministerio de Economía, Industria y Competitividad (España)	es_ES
dc.contributor.funder	Ministerio de Ciencia, Innovación y Universidades (España)	es_ES
dc.contributor.funder	Generalitat de Catalunya	es_ES
dc.relation.csic	Sí	es_ES
oprm.item.hasRevision	no ko 0 false	*
dc.identifier.funder	http://dx.doi.org/10.13039/501100001665	es_ES
dc.identifier.funder	http://dx.doi.org/10.13039/501100000780	es_ES
dc.identifier.funder	http://dx.doi.org/10.13039/501100002809	es_ES
dc.identifier.funder	http://dx.doi.org/10.13039/501100010198	es_ES
dc.identifier.funder	http://dx.doi.org/10.13039/100009104	es_ES
dc.type.coar	http://purl.org/coar/resource_type/c_6501	es_ES
item.grantfulltext	open	-
item.cerifentitytype	Publications	-
item.openairecristype	http://purl.org/coar/resource_type/c_18cf	-
item.languageiso639-1	en	-
item.fulltext	With Fulltext	-
item.openairetype	artículo	-
Aparece en las colecciones:	(ICMAB) Artículos