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

Seminóvski Pérez, Yohanna; Palacios Clemente, Pablo; Conesa, Jose Carlos y 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.

Descripción

Título: Thermodynamics of zinc insertion in CuGaS2:Ti, used as a modulator agent in an intermediate-band photovoltaic material
Autor/es:
  • Seminóvski Pérez, Yohanna
  • Palacios Clemente, Pablo
  • Conesa, Jose Carlos
  • Wahnón Benarroch, Perla
Tipo de Documento: Artículo
Título de Revista/Publicación: Computational and Theoretical Chemistry
Fecha: Noviembre 2011
Volumen: 975
Materias:
Escuela: E.T.S.I. Telecomunicación (UPM)
Departamento: Tecnologías Especiales Aplicadas a la Telecomunicación [hasta 2014]
Licencias Creative Commons: Reconocimiento - Sin obra derivada - No comercial

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Resumen

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

Más información

ID de Registro: 11213
Identificador DC: http://oa.upm.es/11213/
Identificador OAI: oai:oa.upm.es:11213
Identificador DOI: 10.1016/j.comptc.2010.12.018
Depositado por: Memoria Investigacion
Depositado el: 09 Jul 2012 09:45
Ultima Modificación: 20 Abr 2016 19:21
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