Thermodynamics of zinc insertion in CuGaS2:Ti, used as a modulator agent in an intermediate-band photovoltaic material

Seminóvski Pérez, Yohanna and Palacios Clemente, Pablo and Conesa, Jose Carlos and Wahnón Benarroch, Perla (2011). Thermodynamics of zinc insertion in CuGaS2:Ti, used as a modulator agent in an intermediate-band photovoltaic material. "Computational and Theoretical Chemistry", v. 975 (n. 1-3); pp. 134-137. ISSN 0166-1280. https://doi.org/10.1016/j.comptc.2010.12.018.

Description

Title: Thermodynamics of zinc insertion in CuGaS2:Ti, used as a modulator agent in an intermediate-band photovoltaic material
Author/s:
  • Seminóvski Pérez, Yohanna
  • Palacios Clemente, Pablo
  • Conesa, Jose Carlos
  • Wahnón Benarroch, Perla
Item Type: Article
Título de Revista/Publicación: Computational and Theoretical Chemistry
Date: November 2011
ISSN: 0166-1280
Volume: 975
Subjects:
Faculty: E.T.S.I. Telecomunicación (UPM)
Department: Tecnologías Especiales Aplicadas a la Telecomunicación [hasta 2014]
Creative Commons Licenses: Recognition - No derivative works - Non commercial

Full text

[img]
Preview
PDF - Requires a PDF viewer, such as GSview, Xpdf or Adobe Acrobat Reader
Download (977kB) | Preview

Abstract

An intermediate-bandphotovoltaicmaterial, which has an isolated metallic band located between the top of the valence band and bottom of the conduction band of some semiconductors, has been proposed as third generation solar cell to be used in photovoltaic applications. Density functional theory calculations of Zn in CuGaS2:Ti have previously shown that, the intermediate-band position can be modulated in proportion of Zn insertion in such a way that increasing Zn concentration can lead to aband-gap reduction, and an adjustment of the intermediate-band position. This could be interesting in the formation of an intermediate-bandmaterial, that has the maximum efficiency theoretically predicted for the intermediate-band solar cell. In this work, the energetics of several reaction schemes that could lead to the decomposition of the modulated intermediate-bandphotovoltaicmaterial, CuGaS2:Ti:Zn, is studied in order to assess the thermodynamic stability of this material. Calculations of the total free energy and disorder entropy have been taken into account, to get the reaction energy and free energy of the compound decomposition, which is found to be thermodynamically favorable

More information

Item ID: 11213
DC Identifier: http://oa.upm.es/11213/
OAI Identifier: oai:oa.upm.es:11213
DOI: 10.1016/j.comptc.2010.12.018
Deposited by: Memoria Investigacion
Deposited on: 09 Jul 2012 09:45
Last Modified: 20 Apr 2016 19:21
  • Logo InvestigaM (UPM)
  • Logo GEOUP4
  • Logo Open Access
  • Open Access
  • Logo Sherpa/Romeo
    Check whether the anglo-saxon journal in which you have published an article allows you to also publish it under open access.
  • Logo Dulcinea
    Check whether the spanish journal in which you have published an article allows you to also publish it under open access.
  • Logo de Recolecta
  • Logo del Observatorio I+D+i UPM
  • Logo de OpenCourseWare UPM