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Ionization energies of amphoteric-doped Cu2ZnSnS4: Photovoltaic application
Tablero Crespo, César
Ionization energies of amphoteric-doped Cu2ZnSnS4: Photovoltaic application.
"Journal of Alloys and Compounds", v. 586
||Ionization energies of amphoteric-doped Cu2ZnSnS4: Photovoltaic application
|Título de Revista/Publicación:
||Journal of Alloys and Compounds
||Electronic structure; Semiconductors; Photovoltaics; Intermediate band
||E.T.S.I. Telecomunicación (UPM)
|Creative Commons Licenses:
||Recognition - No derivative works - Non commercial
The substitution of Cu, Sn or Zn in the quaternary Cu2ZnSnS4 semiconductor by impurities that introduce intermediate states in the energy bandgap could have important implications either for photovoltaic or spintronic applications. This allows more generation–recombination channels than for the host semiconductor. We explore and discuss this possibility by obtaining the ionization energies from total energy first-principles calculations. The three substitutions of Cu, Sn and Zn by impurities are analyzed. From these results we have found that several impurities have an amphoteric behavior with the donor and acceptor energies in the energy bandgap. In order to analyze the role of the ionization energies in both the radiative and non-radiative processes, the host energy bandgap and the acceptor and the donor energies have been obtained as a function of the inward and outward impurity-S displacements. We carried out the analysis for both the natural and synthetic CZTS. The results show that the ionization energies are similar, whereas the energy band gaps are different.
|Government of Spain||PIB2010US-00096||Unspecified||Unspecified||Unspecified|
|FP7||/283798||NGCPV||UNIVERSIDAD POLITECNICA DE MADRID||A new generation of concentrator photovoltaic cells, modules and systems|
|Comunidad de Madrid||S-2009/ENE-1477||Unspecified||Unspecified||Unspecified|
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