A multiscale DFT/DFTB/ReaxFF study of water on g-C3N4 reports dissociation branching ratios at 5 eV impact but does not demonstrate the claimed optical/conductance enhancement.
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Computational Study of Water Adsorption and Dissociative Mechanisms Impacting g-C3N4's Optical and Electronic Properties
A multiscale DFT/DFTB/ReaxFF study of water on g-C3N4 reports dissociation branching ratios at 5 eV impact but does not demonstrate the claimed optical/conductance enhancement.