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| Main Authors: | , , , |
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| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2408.11127 |
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| _version_ | 1866914918591102976 |
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| author | Ribeiro, Israel C. Moraes, Pedro Ivo R. Bittencourt, Albert F. B. Da Silva, Juarez L. F. |
| author_facet | Ribeiro, Israel C. Moraes, Pedro Ivo R. Bittencourt, Albert F. B. Da Silva, Juarez L. F. |
| contents | Metal-halide semiconductors have great potential for real-life photovoltaic applications; however, surface defects induce several challenges to the thermodynamic stability. Here, we employed density functional theory calculations within van der Waals corrections (D3) to investigate the role of monovalent cations (Li, Na, K, Rb and Cs) in the passivation of 2D perovskite ultrathin films. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2408_11127 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Role of the Adsorption of Alkali Cations on Ultrathin $n$-Layers of Two-dimensional Perovskites Ribeiro, Israel C. Moraes, Pedro Ivo R. Bittencourt, Albert F. B. Da Silva, Juarez L. F. Materials Science Mesoscale and Nanoscale Physics Metal-halide semiconductors have great potential for real-life photovoltaic applications; however, surface defects induce several challenges to the thermodynamic stability. Here, we employed density functional theory calculations within van der Waals corrections (D3) to investigate the role of monovalent cations (Li, Na, K, Rb and Cs) in the passivation of 2D perovskite ultrathin films. |
| title | Role of the Adsorption of Alkali Cations on Ultrathin $n$-Layers of Two-dimensional Perovskites |
| topic | Materials Science Mesoscale and Nanoscale Physics |
| url | https://arxiv.org/abs/2408.11127 |