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Machine learning guided O2 reduction to H2O2 on BN co-doped γ-graphyne: insights from time-domain atomistic dynamics.
Visible-light-driven production of hydrogen peroxide (H2O2) offers a promising and sustainable pathway. Metal-free carbon-based materials are attractive photocatalysts for the two-electron oxygen reduction reaction (2e- ORR), but their performance is often limited by rapid electron-hole recombination and sluggish kinet...