Fabrication of CZTS Films through a Combined Electrodeposition and Solution Process: An Experimental and First‐Principles Study
Abstract Sulfurization has a critical role in preparation of CZTS films since the main drawback of CZTS is due to the presence of S‐based impurities. In general, sulfurization could be performed during or following annealing, or the entire CZTS structure could be prepared through sol‐gel. However, t...
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| Format: | Article |
| Language: | English |
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Wiley-VCH
2023-07-01
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| Series: | ChemElectroChem |
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| Online Access: | https://doi.org/10.1002/celc.202300162 |
| _version_ | 1827899281899520000 |
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| author | Prof. Ramazan Katirci Mehmet Nurullah Onel Ilhan Danaci Kevser Irem Danaci Dr. Salih Ozbay Dr. Fuat Erden |
| author_facet | Prof. Ramazan Katirci Mehmet Nurullah Onel Ilhan Danaci Kevser Irem Danaci Dr. Salih Ozbay Dr. Fuat Erden |
| author_sort | Prof. Ramazan Katirci |
| collection | DOAJ |
| description | Abstract Sulfurization has a critical role in preparation of CZTS films since the main drawback of CZTS is due to the presence of S‐based impurities. In general, sulfurization could be performed during or following annealing, or the entire CZTS structure could be prepared through sol‐gel. However, toxic gases are used for the former, and the latter takes prolonged times. Alternatively, a combined electrodeposition and solution process was proposed in the present work to prepare CZTS. Briefly, we electrodeposited CZT layers on a metal substrate, and then immersed the as‐prepared coating in a S containing solution for the sulfurization. The effects of electrodeposition time, electrodeposition order, current density, electrolyte compositions, sulfurization time, and annealing pressure were studied. Overall, the results show that S content of the films varied between 27 and 52 % depending on process parameters, thus, suggesting the effectiveness of the proposed approach regarding sulfurization. However, various secondary phases were also detected as well as considerable amount of oxygen impurity. Accordingly, we opted for a computational approach to elucidate the effect of oxygen impurities, and report that the band gap of the films varied between 0.59 and 0.05 eV depending on the presence and which sites oxygen atoms occupy. |
| first_indexed | 2024-03-12T23:15:52Z |
| format | Article |
| id | doaj.art-db2bc43816d54baaa785d2c494260b35 |
| institution | Directory Open Access Journal |
| issn | 2196-0216 |
| language | English |
| last_indexed | 2024-03-12T23:15:52Z |
| publishDate | 2023-07-01 |
| publisher | Wiley-VCH |
| record_format | Article |
| series | ChemElectroChem |
| spelling | doaj.art-db2bc43816d54baaa785d2c494260b352023-07-17T09:25:55ZengWiley-VCHChemElectroChem2196-02162023-07-011014n/an/a10.1002/celc.202300162Fabrication of CZTS Films through a Combined Electrodeposition and Solution Process: An Experimental and First‐Principles StudyProf. Ramazan Katirci0Mehmet Nurullah Onel1Ilhan Danaci2Kevser Irem Danaci3Dr. Salih Ozbay4Dr. Fuat Erden5Department of Metallurgical and Materials Engineering Sivas University of Science and Technology 58000 Sivas TürkiyeDepartment of Astronautical Engineering Sivas University of Science and Technology 58000 Sivas TürkiyeDepartment of Aeronautical Engineering Sivas University of Science and Technology 58000 Sivas TürkiyeDepartment of Electrical and Electronics Engineering Sivas University of Science and Technology 58000 Sivas TürkiyeDepartment of Chemical Engineering Sivas University of Science and Technology 58000 Sivas TürkiyeDepartment of Aeronautical Engineering Sivas University of Science and Technology 58000 Sivas TürkiyeAbstract Sulfurization has a critical role in preparation of CZTS films since the main drawback of CZTS is due to the presence of S‐based impurities. In general, sulfurization could be performed during or following annealing, or the entire CZTS structure could be prepared through sol‐gel. However, toxic gases are used for the former, and the latter takes prolonged times. Alternatively, a combined electrodeposition and solution process was proposed in the present work to prepare CZTS. Briefly, we electrodeposited CZT layers on a metal substrate, and then immersed the as‐prepared coating in a S containing solution for the sulfurization. The effects of electrodeposition time, electrodeposition order, current density, electrolyte compositions, sulfurization time, and annealing pressure were studied. Overall, the results show that S content of the films varied between 27 and 52 % depending on process parameters, thus, suggesting the effectiveness of the proposed approach regarding sulfurization. However, various secondary phases were also detected as well as considerable amount of oxygen impurity. Accordingly, we opted for a computational approach to elucidate the effect of oxygen impurities, and report that the band gap of the films varied between 0.59 and 0.05 eV depending on the presence and which sites oxygen atoms occupy.https://doi.org/10.1002/celc.202300162CZTSelectrochemistryelectrodepositionsolution processsulfur |
| spellingShingle | Prof. Ramazan Katirci Mehmet Nurullah Onel Ilhan Danaci Kevser Irem Danaci Dr. Salih Ozbay Dr. Fuat Erden Fabrication of CZTS Films through a Combined Electrodeposition and Solution Process: An Experimental and First‐Principles Study ChemElectroChem CZTS electrochemistry electrodeposition solution process sulfur |
| title | Fabrication of CZTS Films through a Combined Electrodeposition and Solution Process: An Experimental and First‐Principles Study |
| title_full | Fabrication of CZTS Films through a Combined Electrodeposition and Solution Process: An Experimental and First‐Principles Study |
| title_fullStr | Fabrication of CZTS Films through a Combined Electrodeposition and Solution Process: An Experimental and First‐Principles Study |
| title_full_unstemmed | Fabrication of CZTS Films through a Combined Electrodeposition and Solution Process: An Experimental and First‐Principles Study |
| title_short | Fabrication of CZTS Films through a Combined Electrodeposition and Solution Process: An Experimental and First‐Principles Study |
| title_sort | fabrication of czts films through a combined electrodeposition and solution process an experimental and first principles study |
| topic | CZTS electrochemistry electrodeposition solution process sulfur |
| url | https://doi.org/10.1002/celc.202300162 |
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