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What is Heterostructure Screening for Photocatalysis about?

Step 8 focuses on analyzing and screening heterostructures for photocatalytic water splitting by evaluating their electronic suitability, thermodynamic stability, interfacial properties, catalytic activity, and charge transport capability. The process involves applying specific criteria to filter and rank the structures, ultimately producing a shortlist of the best-performing candidates for further modeling. Key factors include band edge alignment, band gap range, charge separation, interface stability, cat

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