Observatorio de I+D+i UPM

Memorias de investigación
Research Publications in journals:
Effect of van der Waals interaction on the properties of SnS2 layered semiconductor
Year:2012
Research Areas
  • Chemistral tecnology,
  • Electric engineers, electronic and automatic (eil),
  • Materials for electric engineering and electronics
Information
Abstract
Based on theoretical arguments, we propose a possible route for controlling the band-gap in the promising photovoltaic material CdIn2S4. Our ab initio calculations show that the experimental degree of inversion in this spinel (fraction of tetrahedral sites occupied by In) corresponds approximately to the equilibrium value given by the minimum of the theoretical inversion free energy at a typical synthesis temperature. Modification of this temperature, or of the cooling rate after synthesis, is then expected to change the inversion degree, which in turn sensitively tunes the electronic band-gap of the solid, as shown here by screened hybrid functional calculations.
International
Si
JCR
Si
Title
Applied Physics Letters
ISBN
0003-6951
Impact factor JCR
3,844
Impact info
Volume
100
10.1063/1.3692780
Journal number
10
From page
102112-1
To page
102112-3
Month
SIN MES
Ranking
Participants
  • Autor: Yohanna Seminóvski Pérez (UPM)
  • Autor: Pablo Palacios Clemente (UPM)
  • Autor: Perla Wahnon Benarroch (UPM)
  • Autor: R. Grau-Crespo
Research Group, Departaments and Institutes related
  • Creador: Grupo de Investigación: Silicio y Nuevos Conceptos para Células Solares
  • Centro o Instituto I+D+i: Instituto de Energía Solar
  • Departamento: Física y Química Aplicadas a la Técnica Aeronáutica
  • Departamento: Tecnologías Especiales Aplicadas a la Telecomunicación
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)