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Title: | Revealing the electronic structure, heterojunction band offset and alignment of Cu2ZnGeSe4: a combined experimental and computational study towards photovoltaic applications | Authors: | Rondiya, Sachin R. BULDU KOHL, Dilara BRAMMERTZ, Guy Jadhav, Yogesh A. Cross, Russell W. Ghosh, Hirendra N. Davies, Thomas E. Jadkar, Sandesh R. Dzade, Nelson Y. VERMANG, Bart |
Issue Date: | 2021 | Publisher: | ROYAL SOC CHEMISTRY | Source: | Physical Chemistry Chemical Physics, 23 (15) , p. 9553 -9560 | Abstract: | Cu2ZnGeSe4 (CZGSe) is a promising earth-abundant and non-toxic semiconductor material for large-scale thin-film solar cell applications. Herein, we have employed a joint computational and experimental approach to characterize and assess the structural, optoelectronic, and heterojunction band offset and alignment properties of a CZGSe solar absorber. The CZGSe films were successfully prepared using DC-sputtering and e-beam evaporation systems and confirmed by XRD and Raman spectroscopy analyses. The CZGSe films exhibit a bandgap of 1.35 eV, as estimated from electrochemical cyclic voltammetry (CV) measurements and validated by first-principles density functional theory (DFT) calculations, which predicts a bandgap of 1.38 eV. A fabricated device based on the CZGSe as a light absorber and CdS as a buffer layer yields power conversion efficiency (PCE) of 4.4% with V-OC of 0.69 V, FF of 37.15, and J(sc) of 17.12 mA cm(-2). Therefore, we suggest that interface and band offset engineering represent promising approaches to improve the performance of CZGSe devices by predicting a type-II staggered band alignment with a small conduction band offset of 0.18 eV at the CZGSe/CdS interface. | Notes: | Rondiya, SR; Dzade, NY (corresponding author), Cardiff Univ, Sch Chem, Main Bldg,Pk Pl, Cardiff CF10 3AT, S Glam, Wales.; Vermang, B (corresponding author), Hasselt Univ Partner Solliance, Inst Mat Res IMO, Wetenschapspk 1, B-3590 Diepenbeek, Belgium.; Vermang, B (corresponding author), Imec Div IMOMEC Partner Solliance, Wetenschapspk 1, B-3590 Diepenbeek, Belgium.; Vermang, B (corresponding author), EneryVille, Thorpk,Poort Genk 8310 & 8320, B-3600 Genk, Belgium. rondiyas@cardiff.ac.uk; dzadeny@cardiff.ac.uk; bart.vermang@uhasselt.be |
Other: | Rondiya, SR; Dzade, NY (corresponding author), Cardiff Univ, Sch Chem, Main Bldg,Pk Pl, Cardiff CF10 3AT, S Glam, Wales. Vermang, B (corresponding author), Hasselt Univ Partner Solliance, Inst Mat Res IMO, Wetenschapspk 1, B-3590 Diepenbeek, Belgium ; Imec Div IMOMEC Partner Solliance, Wetenschapspk 1, B-3590 Diepenbeek, Belgium ; EneryVille, Thorpk,Poort Genk 8310 & 8320, B-3600 Genk, Belgium. rondiyas@cardiff.ac.uk; dzadeny@cardiff.ac.uk; bart.vermang@uhasselt.be | Document URI: | http://hdl.handle.net/1942/34039 | ISSN: | 1463-9076 | e-ISSN: | 1463-9084 | DOI: | 10.1039/d0cp06143c | ISI #: | WOS:000639544600001 | Rights: | This journal is © the Owner Societies 2021. Open Access Article. Published on 01 April 2021. Downloaded on 10/3/2024 7:50:55 AM. This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. | Category: | A1 | Type: | Journal Contribution | Validations: | ecoom 2022 |
Appears in Collections: | Research publications |
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d0cp06143c.pdf | Published version | 3.71 MB | Adobe PDF | View/Open |
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