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Author

M. Brandbyge

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Preprint Aug 2026

Machine Learning Bandgap Prediction of Nanoporous Graphenes with Water

Analysis identifies water dipole orientation, water-substrate distance, water center-of-geometry, and ribbon-resolved dipole moments as the dominant factors controlling bandgap modulation across NPG and h-NPG systems.

Sneha Mittal, Alan E. Anaya Morales, V. Rosendal et al. · 0 citations

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