Potassium-decorated graphenyldiene is predicted by DFT to store 8.82 wt% hydrogen with reversible adsorption energies of -0.11 to -0.14 eV per H2, desorbing at 300 K in AIMD.
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Potassium Decoration on Graphenyldiene Monolayer for Advanced Reversible Hydrogen Storage
Potassium-decorated graphenyldiene is predicted by DFT to store 8.82 wt% hydrogen with reversible adsorption energies of -0.11 to -0.14 eV per H2, desorbing at 300 K in AIMD.