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.
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