Atomistic insight into the device engineering of inorganic halide perovskite solar cells
Perovskites provide a promising pathway for fabricating efficient and lightweight solar cells, which could be game-changers in the renewable energy landscape. Yet, the phase stability and device design are still the key issues of perovskite-based photovoltaics. Herein, we evaluated the phase stabili...
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Elsevier
2024-12-01
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| Series: | Results in Engineering |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2590123024013604 |
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| author | Safdar Iqbal Xinlei Duan Jian Wang Linhua Liu Jia-Yue Yang |
| author_facet | Safdar Iqbal Xinlei Duan Jian Wang Linhua Liu Jia-Yue Yang |
| author_sort | Safdar Iqbal |
| collection | DOAJ |
| description | Perovskites provide a promising pathway for fabricating efficient and lightweight solar cells, which could be game-changers in the renewable energy landscape. Yet, the phase stability and device design are still the key issues of perovskite-based photovoltaics. Herein, we evaluated the phase stability of CsPbX3 (X = I, Br, and Cl) upon analyzing the lattice dynamics from first-principles and then predicted fundamental properties including bandgap, carrier mobility, and optical absorption as input to optimize the device design of solar cell. A maximum power conversion efficiency (PCE) of 12.36 % was achieved for a CsPbBr3-based solar cell. Those findings highlight the potential of CsPbX3 perovskites for high-efficiency solar cells. The computational approach provides a comprehensive understanding of the material's structural stability, charge-carrier dynamics, and optoelectronic characteristics. The collective analysis enables a holistic understanding of CsPbX3 perovskites and provides a roadmap for future advancements in perovskite solar-cell technology. |
| format | Article |
| id | doaj-art-6759af46205545bab94f6505d30e917c |
| institution | OA Journals |
| issn | 2590-1230 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Results in Engineering |
| spelling | doaj-art-6759af46205545bab94f6505d30e917c2025-08-20T01:58:16ZengElsevierResults in Engineering2590-12302024-12-012410310510.1016/j.rineng.2024.103105Atomistic insight into the device engineering of inorganic halide perovskite solar cellsSafdar Iqbal0Xinlei Duan1Jian Wang2Linhua Liu3Jia-Yue Yang4School of Energy and Power Engineering, Shandong University, Jinan, Shandong, 250061, China; Optics & Thermal Radiation Research Center, Institute of Frontier and Interdisciplinary, Shandong University, Qingdao, Shandong, 266237, ChinaSchool of Energy and Power Engineering, Shandong University, Jinan, Shandong, 250061, ChinaSchool of Energy and Power Engineering, Shandong University, Jinan, Shandong, 250061, ChinaSchool of Energy and Power Engineering, Shandong University, Jinan, Shandong, 250061, China; Optics & Thermal Radiation Research Center, Institute of Frontier and Interdisciplinary, Shandong University, Qingdao, Shandong, 266237, China; Corresponding author. School of Energy and Power Engineering, Shandong University, Jinan, Shandong 250061, China.School of Energy and Power Engineering, Shandong University, Jinan, Shandong, 250061, China; Optics & Thermal Radiation Research Center, Institute of Frontier and Interdisciplinary, Shandong University, Qingdao, Shandong, 266237, China; Corresponding author. School of Energy and Power Engineering, Shandong University, Jinan, Shandong 250061, China.Perovskites provide a promising pathway for fabricating efficient and lightweight solar cells, which could be game-changers in the renewable energy landscape. Yet, the phase stability and device design are still the key issues of perovskite-based photovoltaics. Herein, we evaluated the phase stability of CsPbX3 (X = I, Br, and Cl) upon analyzing the lattice dynamics from first-principles and then predicted fundamental properties including bandgap, carrier mobility, and optical absorption as input to optimize the device design of solar cell. A maximum power conversion efficiency (PCE) of 12.36 % was achieved for a CsPbBr3-based solar cell. Those findings highlight the potential of CsPbX3 perovskites for high-efficiency solar cells. The computational approach provides a comprehensive understanding of the material's structural stability, charge-carrier dynamics, and optoelectronic characteristics. The collective analysis enables a holistic understanding of CsPbX3 perovskites and provides a roadmap for future advancements in perovskite solar-cell technology.http://www.sciencedirect.com/science/article/pii/S2590123024013604PerovskitesSolar cellsSoft phononFirst-principlesElectron-phonon interaction |
| spellingShingle | Safdar Iqbal Xinlei Duan Jian Wang Linhua Liu Jia-Yue Yang Atomistic insight into the device engineering of inorganic halide perovskite solar cells Results in Engineering Perovskites Solar cells Soft phonon First-principles Electron-phonon interaction |
| title | Atomistic insight into the device engineering of inorganic halide perovskite solar cells |
| title_full | Atomistic insight into the device engineering of inorganic halide perovskite solar cells |
| title_fullStr | Atomistic insight into the device engineering of inorganic halide perovskite solar cells |
| title_full_unstemmed | Atomistic insight into the device engineering of inorganic halide perovskite solar cells |
| title_short | Atomistic insight into the device engineering of inorganic halide perovskite solar cells |
| title_sort | atomistic insight into the device engineering of inorganic halide perovskite solar cells |
| topic | Perovskites Solar cells Soft phonon First-principles Electron-phonon interaction |
| url | http://www.sciencedirect.com/science/article/pii/S2590123024013604 |
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