Observatorio de I+D+i UPM

Memorias de investigación
Research Publications in journals:
Theoretical band alignment in an intermediate band chalcopyrite based material
Year:2017
Research Areas
  • Materials for electric engineering and electronics
Information
Abstract
Band alignment is key to enhance the performance of heterojunction for chalcopyrite thin film solar cells. In this paper we report ab initio calculations of the electronic structures of CuGaS2:Cr with various Cr compositions, CuAlSe2 and ZnSe and the band alignment between their interfaces. We use density functional theory and the more accurate self-consistent GW scheme to obtain improved bulk band-gaps and band offsets. Band alignments of the interfacial region for CuGaS2:Cr/CuAlSe2 and CuGaS2:Cr/ZnSe systems were aligned with respect of an average electrostatic potential. Our results are in good agreement with experimental values for the bulk band-gaps. These theoretical band alignments show a characteristic staggered band alignment for the design of heterojunction devices in photovoltaic applications.
International
Si
JCR
Si
Title
Applied Surface Science
ISBN
0169-4332
Impact factor JCR
3,387
Impact info
Volume
424
10.1016/j.apsusc.2016.12.237
Journal number
From page
132
To page
1363
Month
SIN MES
Ranking
Participants
  • Autor: Jesús Eduardo Castellanos Aguila (UPM)
  • Autor: Pablo Palacios Clemente (UPM)
  • Autor: J.C. Conesa
  • Autor: Perla Wahnon Benarroch (UPM)
  • Autor: J. Arriaga
Research Group, Departaments and Institutes related
  • Creador: Centro o Instituto I+D+i: Instituto de Energía Solar
  • Departamento: Física Aplicada a Las Ingenierías Aeronáutica y Naval
S2i 2020 Observatorio de investigación @ UPM con la colaboración del Consejo Social UPM
Cofinanciación del MINECO en el marco del Programa INNCIDE 2011 (OTR-2011-0236)
Cofinanciación del MINECO en el marco del Programa INNPACTO (IPT-020000-2010-22)