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

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

doi:10.1109/PVSC.2017.8366204

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 proceeding › Conference contribution › Scientific › peer-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 language	English
Title of host publication	2017 IEEE 44TH PHOTOVOLTAIC SPECIALIST CONFERENCE (PVSC)
Publisher	IEEE
Pages	2070-2072
Number of pages	3
ISBN (Print)	978-1-5090-5605-7
DOIs	https://doi.org/10.1109/PVSC.2017.8366204
Publication status	Published - 2017
MoE publication type	A4 Article in a conference publication
Event	IEEE Photovoltaic Specialists Conference - Washington, United States Duration: 25 Jun 2017 → 30 Jun 2017 Conference number: 44

Publication series

Name	IEEE Photovoltaic Specialists Conference
Publisher	IEEE
ISSN (Print)	0160-8371

Conference

Conference	IEEE Photovoltaic Specialists Conference
Abbreviated title	PVSC
Country/Territory	United States
City	Washington
Period	25/06/2017 → 30/06/2017

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title = "First-principles modeling of alkali metal post deposition treatment effects in CIGS solar cells",

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.",

author = "Maria Fedina and Hannu-Pekka Komsa and Ville Havu and Puska, {Martti J.}",

note = "| openaire: EC/H2020/641004/EU//Sharc25 ; IEEE Photovoltaic Specialists Conference, PVSC ; Conference date: 25-06-2017 Through 30-06-2017",

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doi = "10.1109/PVSC.2017.8366204",

language = "English",

isbn = "978-1-5090-5605-7",

series = "IEEE Photovoltaic Specialists Conference",

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Fedina, M, Komsa, H-P, Havu, V & Puska, MJ 2017, First-principles modeling of alkali metal post deposition treatment effects in CIGS solar cells. in 2017 IEEE 44TH PHOTOVOLTAIC SPECIALIST CONFERENCE (PVSC). IEEE Photovoltaic Specialists Conference, IEEE, pp. 2070-2072, IEEE Photovoltaic Specialists Conference, Washington, District of Columbia, United States, 25/06/2017. https://doi.org/10.1109/PVSC.2017.8366204

First-principles modeling of alkali metal post deposition treatment effects in CIGS solar cells. / Fedina, Maria; Komsa, Hannu-Pekka; Havu, Ville et al.
2017 IEEE 44TH PHOTOVOLTAIC SPECIALIST CONFERENCE (PVSC). IEEE, 2017. p. 2070-2072 (IEEE Photovoltaic Specialists Conference).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Scientific › peer-review

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T1 - First-principles modeling of alkali metal post deposition treatment effects in CIGS solar cells

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AU - Komsa, Hannu-Pekka

AU - Havu, Ville

AU - Puska, Martti J.

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N2 - 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.

AB - 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.

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T2 - IEEE Photovoltaic Specialists Conference

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ER -

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

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