Electronic and Optical Properties of Organic–Inorganic $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ Perovskites: A First-Principles Study
Abstract In recent years, the search of lead-free perovskites have been investigated to obtain better structural stability and photovoltaic performance compared with the corresponding lead-based hybrid perovskites. In this work, we calculated the structural stabilities, electronic and optical proper...
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| Autor*in: |
Liu, Diwen [verfasserIn] |
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| Format: |
Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2019 |
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| Schlagwörter: |
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| Anmerkung: |
© Springer Science+Business Media, LLC, part of Springer Nature 2019 |
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| Übergeordnetes Werk: |
Enthalten in: Journal of cluster science - Springer US, 1990, 31(2019), 5 vom: 13. Nov., Seite 1103-1109 |
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| Übergeordnetes Werk: |
volume:31 ; year:2019 ; number:5 ; day:13 ; month:11 ; pages:1103-1109 |
| Links: |
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| DOI / URN: |
10.1007/s10876-019-01718-1 |
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OLC211863708X |
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| 520 | |a Abstract In recent years, the search of lead-free perovskites have been investigated to obtain better structural stability and photovoltaic performance compared with the corresponding lead-based hybrid perovskites. In this work, we calculated the structural stabilities, electronic and optical properites of the mixed $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ perovskites using the HSE06 functional. The results indicate that our predicted mixed Sn–Ge perovskites are stable, but they are weaken than that of $ MASnI_{3} $. The calculated results show that these mixed perovskites possess direct band gaps from 1.22 to 1.74 eV. The calculated band gaps of the mixed Sn–Ge perovskites are in the suitable ranges for single-junction solar cell. The mixed $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ perovskites also possess strong optical absorption abilities in the visible light region. Based on our calculated results, these mixed Sn–Ge perovskites are potential candidates for photovoltaic applications. We expect that this work can provide a insight for further research on lead-free perovskite solar cells. | ||
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10.1007/s10876-019-01718-1 doi (DE-627)OLC211863708X (DE-He213)s10876-019-01718-1-p DE-627 ger DE-627 rakwb eng 500 VZ 11 ssgn Liu, Diwen verfasserin aut Electronic and Optical Properties of Organic–Inorganic $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ Perovskites: A First-Principles Study 2019 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer Science+Business Media, LLC, part of Springer Nature 2019 Abstract In recent years, the search of lead-free perovskites have been investigated to obtain better structural stability and photovoltaic performance compared with the corresponding lead-based hybrid perovskites. In this work, we calculated the structural stabilities, electronic and optical properites of the mixed $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ perovskites using the HSE06 functional. The results indicate that our predicted mixed Sn–Ge perovskites are stable, but they are weaken than that of $ MASnI_{3} $. The calculated results show that these mixed perovskites possess direct band gaps from 1.22 to 1.74 eV. The calculated band gaps of the mixed Sn–Ge perovskites are in the suitable ranges for single-junction solar cell. The mixed $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ perovskites also possess strong optical absorption abilities in the visible light region. Based on our calculated results, these mixed Sn–Ge perovskites are potential candidates for photovoltaic applications. We expect that this work can provide a insight for further research on lead-free perovskite solar cells. Lead-free Structrual stability Band structure Optical absorption First-principles calculations Sa, Rongjian aut Wang, Jian aut Wu, Kechen aut Enthalten in Journal of cluster science Springer US, 1990 31(2019), 5 vom: 13. Nov., Seite 1103-1109 (DE-627)130895687 (DE-600)1042216-X (DE-576)023130083 1040-7278 nnns volume:31 year:2019 number:5 day:13 month:11 pages:1103-1109 https://doi.org/10.1007/s10876-019-01718-1 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-CHE SSG-OLC-MAT SSG-OPC-MAT AR 31 2019 5 13 11 1103-1109 |
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10.1007/s10876-019-01718-1 doi (DE-627)OLC211863708X (DE-He213)s10876-019-01718-1-p DE-627 ger DE-627 rakwb eng 500 VZ 11 ssgn Liu, Diwen verfasserin aut Electronic and Optical Properties of Organic–Inorganic $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ Perovskites: A First-Principles Study 2019 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer Science+Business Media, LLC, part of Springer Nature 2019 Abstract In recent years, the search of lead-free perovskites have been investigated to obtain better structural stability and photovoltaic performance compared with the corresponding lead-based hybrid perovskites. In this work, we calculated the structural stabilities, electronic and optical properites of the mixed $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ perovskites using the HSE06 functional. The results indicate that our predicted mixed Sn–Ge perovskites are stable, but they are weaken than that of $ MASnI_{3} $. The calculated results show that these mixed perovskites possess direct band gaps from 1.22 to 1.74 eV. The calculated band gaps of the mixed Sn–Ge perovskites are in the suitable ranges for single-junction solar cell. The mixed $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ perovskites also possess strong optical absorption abilities in the visible light region. Based on our calculated results, these mixed Sn–Ge perovskites are potential candidates for photovoltaic applications. We expect that this work can provide a insight for further research on lead-free perovskite solar cells. Lead-free Structrual stability Band structure Optical absorption First-principles calculations Sa, Rongjian aut Wang, Jian aut Wu, Kechen aut Enthalten in Journal of cluster science Springer US, 1990 31(2019), 5 vom: 13. Nov., Seite 1103-1109 (DE-627)130895687 (DE-600)1042216-X (DE-576)023130083 1040-7278 nnns volume:31 year:2019 number:5 day:13 month:11 pages:1103-1109 https://doi.org/10.1007/s10876-019-01718-1 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-CHE SSG-OLC-MAT SSG-OPC-MAT AR 31 2019 5 13 11 1103-1109 |
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10.1007/s10876-019-01718-1 doi (DE-627)OLC211863708X (DE-He213)s10876-019-01718-1-p DE-627 ger DE-627 rakwb eng 500 VZ 11 ssgn Liu, Diwen verfasserin aut Electronic and Optical Properties of Organic–Inorganic $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ Perovskites: A First-Principles Study 2019 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer Science+Business Media, LLC, part of Springer Nature 2019 Abstract In recent years, the search of lead-free perovskites have been investigated to obtain better structural stability and photovoltaic performance compared with the corresponding lead-based hybrid perovskites. In this work, we calculated the structural stabilities, electronic and optical properites of the mixed $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ perovskites using the HSE06 functional. The results indicate that our predicted mixed Sn–Ge perovskites are stable, but they are weaken than that of $ MASnI_{3} $. The calculated results show that these mixed perovskites possess direct band gaps from 1.22 to 1.74 eV. The calculated band gaps of the mixed Sn–Ge perovskites are in the suitable ranges for single-junction solar cell. The mixed $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ perovskites also possess strong optical absorption abilities in the visible light region. Based on our calculated results, these mixed Sn–Ge perovskites are potential candidates for photovoltaic applications. We expect that this work can provide a insight for further research on lead-free perovskite solar cells. Lead-free Structrual stability Band structure Optical absorption First-principles calculations Sa, Rongjian aut Wang, Jian aut Wu, Kechen aut Enthalten in Journal of cluster science Springer US, 1990 31(2019), 5 vom: 13. Nov., Seite 1103-1109 (DE-627)130895687 (DE-600)1042216-X (DE-576)023130083 1040-7278 nnns volume:31 year:2019 number:5 day:13 month:11 pages:1103-1109 https://doi.org/10.1007/s10876-019-01718-1 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-CHE SSG-OLC-MAT SSG-OPC-MAT AR 31 2019 5 13 11 1103-1109 |
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10.1007/s10876-019-01718-1 doi (DE-627)OLC211863708X (DE-He213)s10876-019-01718-1-p DE-627 ger DE-627 rakwb eng 500 VZ 11 ssgn Liu, Diwen verfasserin aut Electronic and Optical Properties of Organic–Inorganic $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ Perovskites: A First-Principles Study 2019 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer Science+Business Media, LLC, part of Springer Nature 2019 Abstract In recent years, the search of lead-free perovskites have been investigated to obtain better structural stability and photovoltaic performance compared with the corresponding lead-based hybrid perovskites. In this work, we calculated the structural stabilities, electronic and optical properites of the mixed $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ perovskites using the HSE06 functional. The results indicate that our predicted mixed Sn–Ge perovskites are stable, but they are weaken than that of $ MASnI_{3} $. The calculated results show that these mixed perovskites possess direct band gaps from 1.22 to 1.74 eV. The calculated band gaps of the mixed Sn–Ge perovskites are in the suitable ranges for single-junction solar cell. The mixed $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ perovskites also possess strong optical absorption abilities in the visible light region. Based on our calculated results, these mixed Sn–Ge perovskites are potential candidates for photovoltaic applications. We expect that this work can provide a insight for further research on lead-free perovskite solar cells. Lead-free Structrual stability Band structure Optical absorption First-principles calculations Sa, Rongjian aut Wang, Jian aut Wu, Kechen aut Enthalten in Journal of cluster science Springer US, 1990 31(2019), 5 vom: 13. Nov., Seite 1103-1109 (DE-627)130895687 (DE-600)1042216-X (DE-576)023130083 1040-7278 nnns volume:31 year:2019 number:5 day:13 month:11 pages:1103-1109 https://doi.org/10.1007/s10876-019-01718-1 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-CHE SSG-OLC-MAT SSG-OPC-MAT AR 31 2019 5 13 11 1103-1109 |
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10.1007/s10876-019-01718-1 doi (DE-627)OLC211863708X (DE-He213)s10876-019-01718-1-p DE-627 ger DE-627 rakwb eng 500 VZ 11 ssgn Liu, Diwen verfasserin aut Electronic and Optical Properties of Organic–Inorganic $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ Perovskites: A First-Principles Study 2019 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Springer Science+Business Media, LLC, part of Springer Nature 2019 Abstract In recent years, the search of lead-free perovskites have been investigated to obtain better structural stability and photovoltaic performance compared with the corresponding lead-based hybrid perovskites. In this work, we calculated the structural stabilities, electronic and optical properites of the mixed $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ perovskites using the HSE06 functional. The results indicate that our predicted mixed Sn–Ge perovskites are stable, but they are weaken than that of $ MASnI_{3} $. The calculated results show that these mixed perovskites possess direct band gaps from 1.22 to 1.74 eV. The calculated band gaps of the mixed Sn–Ge perovskites are in the suitable ranges for single-junction solar cell. The mixed $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ perovskites also possess strong optical absorption abilities in the visible light region. Based on our calculated results, these mixed Sn–Ge perovskites are potential candidates for photovoltaic applications. We expect that this work can provide a insight for further research on lead-free perovskite solar cells. Lead-free Structrual stability Band structure Optical absorption First-principles calculations Sa, Rongjian aut Wang, Jian aut Wu, Kechen aut Enthalten in Journal of cluster science Springer US, 1990 31(2019), 5 vom: 13. Nov., Seite 1103-1109 (DE-627)130895687 (DE-600)1042216-X (DE-576)023130083 1040-7278 nnns volume:31 year:2019 number:5 day:13 month:11 pages:1103-1109 https://doi.org/10.1007/s10876-019-01718-1 lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-CHE SSG-OLC-MAT SSG-OPC-MAT AR 31 2019 5 13 11 1103-1109 |
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Electronic and Optical Properties of Organic–Inorganic $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ Perovskites: A First-Principles Study |
| abstract |
Abstract In recent years, the search of lead-free perovskites have been investigated to obtain better structural stability and photovoltaic performance compared with the corresponding lead-based hybrid perovskites. In this work, we calculated the structural stabilities, electronic and optical properites of the mixed $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ perovskites using the HSE06 functional. The results indicate that our predicted mixed Sn–Ge perovskites are stable, but they are weaken than that of $ MASnI_{3} $. The calculated results show that these mixed perovskites possess direct band gaps from 1.22 to 1.74 eV. The calculated band gaps of the mixed Sn–Ge perovskites are in the suitable ranges for single-junction solar cell. The mixed $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ perovskites also possess strong optical absorption abilities in the visible light region. Based on our calculated results, these mixed Sn–Ge perovskites are potential candidates for photovoltaic applications. We expect that this work can provide a insight for further research on lead-free perovskite solar cells. © Springer Science+Business Media, LLC, part of Springer Nature 2019 |
| abstractGer |
Abstract In recent years, the search of lead-free perovskites have been investigated to obtain better structural stability and photovoltaic performance compared with the corresponding lead-based hybrid perovskites. In this work, we calculated the structural stabilities, electronic and optical properites of the mixed $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ perovskites using the HSE06 functional. The results indicate that our predicted mixed Sn–Ge perovskites are stable, but they are weaken than that of $ MASnI_{3} $. The calculated results show that these mixed perovskites possess direct band gaps from 1.22 to 1.74 eV. The calculated band gaps of the mixed Sn–Ge perovskites are in the suitable ranges for single-junction solar cell. The mixed $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ perovskites also possess strong optical absorption abilities in the visible light region. Based on our calculated results, these mixed Sn–Ge perovskites are potential candidates for photovoltaic applications. We expect that this work can provide a insight for further research on lead-free perovskite solar cells. © Springer Science+Business Media, LLC, part of Springer Nature 2019 |
| abstract_unstemmed |
Abstract In recent years, the search of lead-free perovskites have been investigated to obtain better structural stability and photovoltaic performance compared with the corresponding lead-based hybrid perovskites. In this work, we calculated the structural stabilities, electronic and optical properites of the mixed $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ perovskites using the HSE06 functional. The results indicate that our predicted mixed Sn–Ge perovskites are stable, but they are weaken than that of $ MASnI_{3} $. The calculated results show that these mixed perovskites possess direct band gaps from 1.22 to 1.74 eV. The calculated band gaps of the mixed Sn–Ge perovskites are in the suitable ranges for single-junction solar cell. The mixed $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ perovskites also possess strong optical absorption abilities in the visible light region. Based on our calculated results, these mixed Sn–Ge perovskites are potential candidates for photovoltaic applications. We expect that this work can provide a insight for further research on lead-free perovskite solar cells. © Springer Science+Business Media, LLC, part of Springer Nature 2019 |
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| title_short |
Electronic and Optical Properties of Organic–Inorganic $ MASn_{1−x} $$ Ge_{x} $$ I_{3} $ Perovskites: A First-Principles Study |
| url |
https://doi.org/10.1007/s10876-019-01718-1 |
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false |
| author2 |
Sa, Rongjian Wang, Jian Wu, Kechen |
| author2Str |
Sa, Rongjian Wang, Jian Wu, Kechen |
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| doi_str |
10.1007/s10876-019-01718-1 |
| up_date |
2024-07-03T20:35:05.687Z |
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