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High-throughput computation and machine learning screening of van der Waals heterostructures for Z-scheme photocatalysis

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  • Additional Information
    • Publication Information:
      Royal Society of Chemistry (RSC), 2025.
    • Publication Date:
      2025
    • Abstract:
      We identify 62 Z-scheme heterostructures with excellent photocatalytic performance from 11 935 hetero-bilayer structures using high-throughput calculations and machine learning.
    • ISSN:
      2050-7496
      2050-7488
    • Accession Number:
      10.1039/d4ta07683d
    • Rights:
      CC BY
    • Accession Number:
      edsair.doi...........6bc6cc5fe9100ba22bada4592f67d6e4