Mixed Two-Dimensional Organic-Inorganic Halide Perovskites for Highly Efficient and Stable Photovoltaic Application
Solar cells made of hybrid organic-inorganic perovskite (HOIP) materials have attracted ever-increasing attention due to their high efficiency and easy fabrication. However, issues regarding their poor stability remain a challenge for practical applications. Engineering the composition and structure...
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| Format: | Article |
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MDPI AG
2019-06-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/24/11/2144 |
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| author | Jia-Yi Dong Zi-Qian Ma Ye Yang Shuang-Peng Wang Hui Pan |
| author_facet | Jia-Yi Dong Zi-Qian Ma Ye Yang Shuang-Peng Wang Hui Pan |
| author_sort | Jia-Yi Dong |
| collection | DOAJ |
| description | Solar cells made of hybrid organic-inorganic perovskite (HOIP) materials have attracted ever-increasing attention due to their high efficiency and easy fabrication. However, issues regarding their poor stability remain a challenge for practical applications. Engineering the composition and structure of HOIP can effectively enhance the thermal stability and improve the power conversion efficiency (PCE). In this work, mixed two-dimensional (2D) HOIPs are systematically investigated for solar-power harvesting using first-principles calculations. We find that their electronic properties depend strongly on the mixed atoms (Cs, Rb, Ge and Pb) and the formation energy is related to the HOIP’s composition, where the atoms are more easily mixed in SnI-2D-HOIPs due to low formation energy at the same composition ratio. We further show that optimal solar energy harvesting can be achieved on the solar cells composed of mixed SnI-2D-HOIPs because of reduced bandgaps, enhanced mobility and improved stability. Importantly, we find that the mixed atoms (Cs, Rb, Ge and Pb) with the appropriate composition ratios can effectively enhance the solar-to-power efficiency and show greatly improved resistance to moisture. The findings demonstrate that mixed 2D-HOIPs can replace the bulk HOIPs or pure 2D-HOIPs for applications into solar cells with high efficiency and stability. |
| first_indexed | 2024-12-20T22:16:19Z |
| format | Article |
| id | doaj.art-1ba62f5585fa4c97ab248abfac213176 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-12-20T22:16:19Z |
| publishDate | 2019-06-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-1ba62f5585fa4c97ab248abfac2131762022-12-21T19:25:02ZengMDPI AGMolecules1420-30492019-06-012411214410.3390/molecules24112144molecules24112144Mixed Two-Dimensional Organic-Inorganic Halide Perovskites for Highly Efficient and Stable Photovoltaic ApplicationJia-Yi Dong0Zi-Qian Ma1Ye Yang2Shuang-Peng Wang3Hui Pan4Joint Key Laboratory of the Ministry of Education, Institute of Applied Physics and Materials Engineering, University of Macau, Macao SAR 999078, ChinaSchool of Mechanical Engineering, Zhuhai College of Jilin University, Zhuhai 519000, ChinaJoint Key Laboratory of the Ministry of Education, Institute of Applied Physics and Materials Engineering, University of Macau, Macao SAR 999078, ChinaJoint Key Laboratory of the Ministry of Education, Institute of Applied Physics and Materials Engineering, University of Macau, Macao SAR 999078, ChinaJoint Key Laboratory of the Ministry of Education, Institute of Applied Physics and Materials Engineering, University of Macau, Macao SAR 999078, ChinaSolar cells made of hybrid organic-inorganic perovskite (HOIP) materials have attracted ever-increasing attention due to their high efficiency and easy fabrication. However, issues regarding their poor stability remain a challenge for practical applications. Engineering the composition and structure of HOIP can effectively enhance the thermal stability and improve the power conversion efficiency (PCE). In this work, mixed two-dimensional (2D) HOIPs are systematically investigated for solar-power harvesting using first-principles calculations. We find that their electronic properties depend strongly on the mixed atoms (Cs, Rb, Ge and Pb) and the formation energy is related to the HOIP’s composition, where the atoms are more easily mixed in SnI-2D-HOIPs due to low formation energy at the same composition ratio. We further show that optimal solar energy harvesting can be achieved on the solar cells composed of mixed SnI-2D-HOIPs because of reduced bandgaps, enhanced mobility and improved stability. Importantly, we find that the mixed atoms (Cs, Rb, Ge and Pb) with the appropriate composition ratios can effectively enhance the solar-to-power efficiency and show greatly improved resistance to moisture. The findings demonstrate that mixed 2D-HOIPs can replace the bulk HOIPs or pure 2D-HOIPs for applications into solar cells with high efficiency and stability.https://www.mdpi.com/1420-3049/24/11/2144mixed 2D HOIPssolar-energy harvestingelectronic propertieseffective massstabilityfirst-principles calculation |
| spellingShingle | Jia-Yi Dong Zi-Qian Ma Ye Yang Shuang-Peng Wang Hui Pan Mixed Two-Dimensional Organic-Inorganic Halide Perovskites for Highly Efficient and Stable Photovoltaic Application Molecules mixed 2D HOIPs solar-energy harvesting electronic properties effective mass stability first-principles calculation |
| title | Mixed Two-Dimensional Organic-Inorganic Halide Perovskites for Highly Efficient and Stable Photovoltaic Application |
| title_full | Mixed Two-Dimensional Organic-Inorganic Halide Perovskites for Highly Efficient and Stable Photovoltaic Application |
| title_fullStr | Mixed Two-Dimensional Organic-Inorganic Halide Perovskites for Highly Efficient and Stable Photovoltaic Application |
| title_full_unstemmed | Mixed Two-Dimensional Organic-Inorganic Halide Perovskites for Highly Efficient and Stable Photovoltaic Application |
| title_short | Mixed Two-Dimensional Organic-Inorganic Halide Perovskites for Highly Efficient and Stable Photovoltaic Application |
| title_sort | mixed two dimensional organic inorganic halide perovskites for highly efficient and stable photovoltaic application |
| topic | mixed 2D HOIPs solar-energy harvesting electronic properties effective mass stability first-principles calculation |
| url | https://www.mdpi.com/1420-3049/24/11/2144 |
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