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Electronic and optical properties of chlorinated silicon nanoparticles
Department of Physics, I3N, University of Aveiro, Campus Santiago.
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.ORCID iD: 0000-0002-0292-1159
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.
School of Electrical, Electronic and Computer Engineering, University of Newcastle upon Tyne.
2013 (English)In: Journal of Nanoscience and Nanotechnology, ISSN 1533-4880, E-ISSN 1533-4899, Vol. 13, no 2, p. 1039-1042Article in journal (Refereed) Published
Abstract [en]

First-principles calculations are used to investigate the structure, electronic and optical properties of silicon nanocystals with chlorine-passivated surface. The nanocrystals considered were approximately spherical, with diameters between 1.5 and 3.0 nm. We show that the nanocrystals with chlorinated surface have a smaller bandgap, lower optical absorption threshold, and greater ionization energy and electron affinity than hydrogenated silicon nanocrystals of the same size

Place, publisher, year, edition, pages
2013. Vol. 13, no 2, p. 1039-1042
National Category
Computational Mathematics
Research subject
Scientific Computing
Identifiers
URN: urn:nbn:se:ltu:diva-2762DOI: 10.1166/jnn.2013.6130ISI: 000318254500063Scopus ID: 2-s2.0-84876211464Local ID: 072303e7-db8f-42bb-a3cb-9f11d254385aOAI: oai:DiVA.org:ltu-2762DiVA, id: diva2:975615
Note
Validerad; 2013; 20130430 (andbra)Available from: 2016-09-29 Created: 2016-09-29 Last updated: 2018-07-10Bibliographically approved

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Öberg, SvenRayson, Mark

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