Analysis of SnS2 hyperdoped with V proposed as efficient absorber material

Seminovski Pérez, Yohanna and Palacios Clemente, Pablo and Wahnón Benarroch, Perla (2014). Analysis of SnS2 hyperdoped with V proposed as efficient absorber material. "Journal of Physics: Condensed Matter", v. 26 (n. 39); pp. 1-9. ISSN 0953-8984. https://doi.org/10.1088/0953-8984/26/39/395501.

Description

Title: Analysis of SnS2 hyperdoped with V proposed as efficient absorber material
Author/s:
  • Seminovski Pérez, Yohanna
  • Palacios Clemente, Pablo
  • Wahnón Benarroch, Perla
Item Type: Article
Título de Revista/Publicación: Journal of Physics: Condensed Matter
Date: 2014
Volume: 26
Subjects:
Freetext Keywords: Density functional theory, semiconductors, solar cells, tin disulphide
Faculty: Instituto de Energía Solar (IES) (UPM)
Department: Otro
Creative Commons Licenses: Recognition - No derivative works - Non commercial

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Abstract

Intermediate-band materials can improve the photovoltaic efficiency of solar cells through the absorption of two subband-gap photons that allow extra electron-hole pair formations. Previous theoretical and experimental findings support the proposal that the layered SnS2 compound, with a band-gap of around 2 eV, is a candidate for an intermediate-band material when it is doped with a specific transition-metal. In this work we characterize vanadium doped SnS2 using density functional theory at the dilution level experimentally found and including a dispersion correction combined with the site-occupancy-disorder method. In order to analyze the electronic characteristics that depend on geometry, two SnS2 polytypes partially substituted with vanadium in symmetry-adapted non-equivalent configurations were studied. In addition the magnetic configurations of vanadium in a SnS2 2H-polytype and its comparison with a 4H-polytype were also characterized. We demonstrate that a narrow intermediate-band is formed, when these dopant atoms are located in different layers. Our theoretical predictions confirm the recent experimental findings in which a paramagnetic intermediate-band material in a SnS2 2H-polytype with 10% vanadium concentration is obtained.

More information

Item ID: 38828
DC Identifier: http://oa.upm.es/38828/
OAI Identifier: oai:oa.upm.es:38828
DOI: 10.1088/0953-8984/26/39/395501
Official URL: http://iopscience.iop.org/article/10.1088/0953-8984/26/39/395501/meta;jsessionid=469401D778DCEECFDDD882DA221F1BC6.c2.iopscience.cld.iop.org
Deposited by: Memoria Investigacion
Deposited on: 18 Jan 2016 19:09
Last Modified: 18 Jan 2016 19:09
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