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- W2775706385 abstract "Hydrogen gas production from solar water splitting provides a renewable energy cycle to address the grand global energy challenge; however, its dynamics and fundamental mechanism remain elusive. We directly explore by first-principles the ultrafast electron-nuclear quantum dynamics on the time scale of ∼100 fs during water photosplitting on a plasmonic cluster embedded in liquid water. Water molecule splitting is assisted by rapid proton transport in liquid water in a Grotthuss-like mechanism. We identify that a plasmon-induced field enhancement effect dominates water splitting, while charge transfer from gold to the antibonding orbital of a water molecule also plays an important role. Chain-reaction like rapid H2 production is observed via the combination of two hydrogen atoms from different water molecules. These results provide a route toward a complete understanding of water photosplitting in the ultimate time and spatial limit." @default.
- W2775706385 created "2017-12-22" @default.
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- W2775706385 date "2017-12-18" @default.
- W2775706385 modified "2023-10-16" @default.
- W2775706385 title "Plasmon-Induced Ultrafast Hydrogen Production in Liquid Water" @default.
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- W2775706385 doi "https://doi.org/10.1021/acs.jpclett.7b02957" @default.
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