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AAl2Se4/XSe2 (A= Cd, Hg; X= Ti, Zr, Hf) Heterostructures for Photocatalytic Overall Water Splitting with Z-scheme: Insight from Nonadiabatic Dynamics Simulation and Gibbs Free Energy

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY(2024)

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关键词
Solar-to-hydrogen,Photocatalytic,Direct Z -scheme,Gibbs free energy,Nonadiabatic dynamics
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