Discovery of Pb-free hybrid organic–inorganic 2D perovskites using a stepwise optimization strategy
Abstract The current status of 2D organic–inorganic hybrid perovskites for use in photovoltaic (PV) and light-emitting diode (LED) applications lags far behind their 3D counterparts. Here, we propose a computational strategy for discovering novel perovskites with as few computing resources as possib...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2022-04-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-022-00781-z |