Defect-engineered BeN2 monolayers with alkali-metal decoration store up to 11.64 wt% H2 with reversible adsorption energies of -0.17 to -0.19 eV.
A comparative study of the reversible hydrogen storage behavior in several metal decorated graphyne
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N-GDY with dispersed Li/Na/K/Ca dopants achieves 9.15-13.08 wt% intrinsic H2 capacity with reversible near-ambient adsorption per DFT, AIMD and Langmuir modeling.
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Defect-Engineered Beryllium Dinitride (BeN2) Monolayer with Light-Metal Decoration for Reversible High-Capacity Hydrogen Storage
Defect-engineered BeN2 monolayers with alkali-metal decoration store up to 11.64 wt% H2 with reversible adsorption energies of -0.17 to -0.19 eV.
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N-Graphdiyne as a Tunable Platform for Stabilizing Light Metals toward High-Capacity Reversible Hydrogen Storage
N-GDY with dispersed Li/Na/K/Ca dopants achieves 9.15-13.08 wt% intrinsic H2 capacity with reversible near-ambient adsorption per DFT, AIMD and Langmuir modeling.