Alkali Postdeposition Treatment-Induced Changes of the Chemical and Electronic Structure of Cu(In,Ga)Se2Thin-Film Solar Cell Absorbers: A First-Principle Perspective

Beitrag in einer Fachzeitschrift


Details zur Publikation

Autorinnen und Autoren: Malitckaya M, Kunze T, Komsa HP, Havu V, Handick E, Wilks RG, Bär M, Puska MJ
Zeitschrift: ACS Applied Materials and Interfaces
Jahr der Veröffentlichung: 2019
Band: 11
Heftnummer: 3
Seitenbereich: 3024-3033
ISSN: 1944-8244
eISSN: 1944-8252


Abstract

The effects of alkali postdeposition treatment (PDT) on the valence band structure of Cu(In,Ga)Se
2
(CIGSe) thin-film solar cell absorbers are addressed from a first-principles perspective. In detail, experimentally derived hard X-ray photoelectron spectroscopy (HAXPES) data [ Handick, E.; et al. ACS Appl. Mater. Interfaces 2015, 7, 27414-27420 ] of the valence band structure of alkali-free and NaF/KF-PDT CIGSe are directly compared and fit by calculated density of states (DOS) of CuInSe
2
, its Cu-deficient counterpart CuIn
5
Se
8
, and different potentially formed secondary phases, such as KInSe
2
, InSe, and In
2
Se
3
. The DOSs are based on first-principles electronic structure calculations and weighted according to element-, symmetry-, and energy-dependent photoionization cross sections for the comparison to experimental data. The HAXPES spectra were recorded using photon energies ranging from 2 to 8 keV, allowing extraction of information from different sample depths. The analysis of the alkali-free CIGSe valence band structure reveals that it can best be described by a mixture of the DOS of CuInSe
2
and CuIn
5
Se
8
, resulting in a stoichiometry slightly more Cu-rich than that of CuIn
3
Se
5
. The NaF/KF-PDT-induced changes in the HAXPES spectra for different alkali exposures are best reproduced by additional contributions from KInSe
2
, with some indications that the formation of a pronounced K-In-Se-type surface species might crucially depend on the amount of K available during PDT.


FAU-Autorinnen und Autoren / FAU-Herausgeberinnen und Herausgeber

Bär, Marcus Prof. Dr.-Ing.
Professur für Röntgenspektroskopie (HIERN)


Einrichtungen weiterer Autorinnen und Autoren

Aalto University Espoo
Helmholtz-Zentrum Berlin für Materialien und Energie (HZB)


Zitierweisen

APA:
Malitckaya, M., Kunze, T., Komsa, H.-P., Havu, V., Handick, E., Wilks, R.G.,... Puska, M.J. (2019). Alkali Postdeposition Treatment-Induced Changes of the Chemical and Electronic Structure of Cu(In,Ga)Se2Thin-Film Solar Cell Absorbers: A First-Principle Perspective. ACS Applied Materials and Interfaces, 11(3), 3024-3033. https://dx.doi.org/10.1021/acsami.8b18216

MLA:
Malitckaya, Maria, et al. "Alkali Postdeposition Treatment-Induced Changes of the Chemical and Electronic Structure of Cu(In,Ga)Se2Thin-Film Solar Cell Absorbers: A First-Principle Perspective." ACS Applied Materials and Interfaces 11.3 (2019): 3024-3033.

BibTeX: 

Zuletzt aktualisiert 2019-23-05 um 09:23