{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2025:6SFHZ22RXQCZMELIJJZOBH3EFE","short_pith_number":"pith:6SFHZ22R","schema_version":"1.0","canonical_sha256":"f48a7ceb51bc059611684a72e09f64291601acb60acf764fae1c98383403cef6","source":{"kind":"arxiv","id":"2502.07094","version":1},"attestation_state":"computed","paper":{"title":"Density Functional Tight-Binding Captures Plasmon-Driven H$_2$ Dissociation on Al Nanocrystals","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mes-hall","authors_text":"George C. Schatz, Nikhil S. Chellam","submitted_at":"2025-02-10T22:33:41Z","abstract_excerpt":"Aluminum nanocrystals offer a promising platform for plasmonic photocatalysis, yet a detailed understanding of their electron dynamics and consequent photocatalytic performance has been challenging thus far due to computational limitations. Here, we employ density functional tight-binding methods (DFTB) to investigate the optical properties and H<sub>2</sub> dissociation dynamics of Al nanocrystals with varying sizes and geometries. Our real-time simulations reveal that Al's unique free-electron nature enables efficient light-matter interactions and rapid electronic thermalization. Cubic and o"},"verification_status":{"content_addressed":true,"pith_receipt":true,"author_attested":false,"weak_author_claims":0,"strong_author_claims":0,"externally_anchored":false,"storage_verified":false,"citation_signatures":0,"replication_records":0,"graph_snapshot":true,"references_resolved":false,"formal_links_present":false},"canonical_record":{"source":{"id":"2502.07094","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mes-hall","submitted_at":"2025-02-10T22:33:41Z","cross_cats_sorted":[],"title_canon_sha256":"783599e0118a741e11972c66245de2b2d6ad909f5811f6e26950348313d2e87b","abstract_canon_sha256":"ce889c0624ea199e2c7278c700f067b757cf3c153ca5477d49a4d018ff097e5e"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T10:54:43.148621Z","signature_b64":"bUWzAriYu6cFgIXzhV3leWVZcO14sFJVS5vpFLc9prAa+pth3zQJXLCIoGeSLUQWwdi7Ns+oth0s+lJK5xR1Bg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"f48a7ceb51bc059611684a72e09f64291601acb60acf764fae1c98383403cef6","last_reissued_at":"2026-07-05T10:54:43.148119Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T10:54:43.148119Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Density Functional Tight-Binding Captures Plasmon-Driven H$_2$ Dissociation on Al Nanocrystals","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mes-hall","authors_text":"George C. Schatz, Nikhil S. Chellam","submitted_at":"2025-02-10T22:33:41Z","abstract_excerpt":"Aluminum nanocrystals offer a promising platform for plasmonic photocatalysis, yet a detailed understanding of their electron dynamics and consequent photocatalytic performance has been challenging thus far due to computational limitations. Here, we employ density functional tight-binding methods (DFTB) to investigate the optical properties and H<sub>2</sub> dissociation dynamics of Al nanocrystals with varying sizes and geometries. Our real-time simulations reveal that Al's unique free-electron nature enables efficient light-matter interactions and rapid electronic thermalization. Cubic and o"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2502.07094","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/2502.07094/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"},"aliases":[{"alias_kind":"arxiv","alias_value":"2502.07094","created_at":"2026-07-05T10:54:43.148181+00:00"},{"alias_kind":"arxiv_version","alias_value":"2502.07094v1","created_at":"2026-07-05T10:54:43.148181+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2502.07094","created_at":"2026-07-05T10:54:43.148181+00:00"},{"alias_kind":"pith_short_12","alias_value":"6SFHZ22RXQCZ","created_at":"2026-07-05T10:54:43.148181+00:00"},{"alias_kind":"pith_short_16","alias_value":"6SFHZ22RXQCZMELI","created_at":"2026-07-05T10:54:43.148181+00:00"},{"alias_kind":"pith_short_8","alias_value":"6SFHZ22R","created_at":"2026-07-05T10:54:43.148181+00:00"}],"events":[],"event_summary":{},"paper_claims":[],"inbound_citations":{"count":0,"internal_anchor_count":0,"sample":[]},"formal_canon":{"evidence_count":0,"sample":[],"anchors":[]},"links":{"html":"https://pith.science/pith/6SFHZ22RXQCZMELIJJZOBH3EFE","json":"https://pith.science/pith/6SFHZ22RXQCZMELIJJZOBH3EFE.json","graph_json":"https://pith.science/api/pith-number/6SFHZ22RXQCZMELIJJZOBH3EFE/graph.json","events_json":"https://pith.science/api/pith-number/6SFHZ22RXQCZMELIJJZOBH3EFE/events.json","paper":"https://pith.science/paper/6SFHZ22R"},"agent_actions":{"view_html":"https://pith.science/pith/6SFHZ22RXQCZMELIJJZOBH3EFE","download_json":"https://pith.science/pith/6SFHZ22RXQCZMELIJJZOBH3EFE.json","view_paper":"https://pith.science/paper/6SFHZ22R","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=2502.07094&json=true","fetch_graph":"https://pith.science/api/pith-number/6SFHZ22RXQCZMELIJJZOBH3EFE/graph.json","fetch_events":"https://pith.science/api/pith-number/6SFHZ22RXQCZMELIJJZOBH3EFE/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/6SFHZ22RXQCZMELIJJZOBH3EFE/action/timestamp_anchor","attest_storage":"https://pith.science/pith/6SFHZ22RXQCZMELIJJZOBH3EFE/action/storage_attestation","attest_author":"https://pith.science/pith/6SFHZ22RXQCZMELIJJZOBH3EFE/action/author_attestation","sign_citation":"https://pith.science/pith/6SFHZ22RXQCZMELIJJZOBH3EFE/action/citation_signature","submit_replication":"https://pith.science/pith/6SFHZ22RXQCZMELIJJZOBH3EFE/action/replication_record"}},"created_at":"2026-07-05T10:54:43.148181+00:00","updated_at":"2026-07-05T10:54:43.148181+00:00"}