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.
Theoretical Investigation: 2D N -Graphdiyne Nanosheets as Promising Anode Materials for Li/Na Rechargeable Storage Devices,
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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.