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TPHE-Graphene: A First-Principles Study of a New 2D Carbon Allotrope for Hydrogen Storage
Jos\'e A. S. Laranjeira, Nicolas F. Martins, Kleuton A. L. Lima, Luis A. Cabral, Luiz A. Ribeiro, Douglas S. Galv\~ao, Julio R. Sambrano
https://arxiv.org/abs/2506.00609

TPHE-Graphene: A First-Principles Study of a New 2D Carbon Allotrope for Hydrogen Storage
The shift from fossil fuels to renewable energy sources is essential for reducing global carbon emissions and addressing climate change. Developing advanced materials for efficient hydrogen storage enables sustainable energy solutions in this context. Herein, we propose sodium-decorated TPHE-graphene as a high-performance two-dimensional material for hydrogen storage. Density functional theory (DFT) calculations demonstrate that TPHE-graphene exhibits dynamical, thermal, energetic, and mechanic…