First-principles modeling of alkali metal post deposition treatment effects in CIGS solar cells

Maria Fedina*, Hannu-Pekka Komsa, Ville Havu, Martti J. Puska

*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceedingConference article in proceedingsScientificpeer-review

Abstract

The efficiencies of Cu(In, Ga)Se-2(CIGS) solar cells have increased very fast, thanks the alkali post deposition treatment (PDT). In the present work, we have considered the role of alkali metal atoms in the efficiency enhancement. First, we have investigated the effect of alkali metal atoms in the bulk CuInSe2(CIS) absorber and at the grain boundaries in terms of formation and migration energies and charge transition levels. We found that the copper sublattice is the most preferable for all the alkali metal atoms. A detailed comparison between different alkali metal atoms, with respect to the behavior at grain boundaries and in grain interiors has been done. Moreover, we have studied how alkali metal atoms contribute in the formation of the secondary phases. The secondary phase formation during the PDT process has been suggested on the basis of calculated reaction enthalpies.

Original languageEnglish
Title of host publication2017 IEEE 44TH PHOTOVOLTAIC SPECIALIST CONFERENCE (PVSC)
PublisherIEEE
Pages2070-2072
Number of pages3
ISBN (Print)978-1-5090-5605-7
DOIs
Publication statusPublished - 2017
MoE publication typeA4 Conference publication
EventIEEE Photovoltaic Specialists Conference - Washington, United States
Duration: 25 Jun 201730 Jun 2017
Conference number: 44

Publication series

NameIEEE Photovoltaic Specialists Conference
PublisherIEEE
ISSN (Print)0160-8371

Conference

ConferenceIEEE Photovoltaic Specialists Conference
Abbreviated titlePVSC
Country/TerritoryUnited States
CityWashington
Period25/06/201730/06/2017

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