{"paper":{"title":"TPHE-Graphene: A First-Principles Study of a New 2D Carbon Allotrope for Hydrogen Storage","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Douglas S. Galv\\~ao, Jos\\'e A. S. Laranjeira, Julio R. Sambrano, Kleuton A. L. Lima, Luis A. Cabral, Luiz A. Ribeiro, Nicolas F. Martins","submitted_at":"2025-05-31T15:42:35Z","abstract_excerpt":"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 mechanical stability, as confirmed by cohesive energy, phonon dispersion, and molecular dynamics simulations."},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2506.00609","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2506.00609/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}