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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Bibliographic Details
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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