Photoinduced ferroelectric phase transition triggering photocatalytic water splitting
Abstract Utilizing two-dimensional (2D) ferroelectric semiconductors for photocatalytic water splitting (PWS) to produce clean hydrogen fuel shows promise but faces performance regulation challenges. This study employs real-time time-dependent density functional theory (rt-TDDFT) and first-principle...
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| Main Authors: | Jun Wen, Zhi-rui Luo, Lin-can Fang, Wen-xian Chen, Gui-lin Zhuang |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-04-01
|
| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-025-01601-w |
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