{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2024:34WAB43QB7QLQDCH5TEIAULE3P","short_pith_number":"pith:34WAB43Q","schema_version":"1.0","canonical_sha256":"df2c00f3700fe0b80c47ecc8805164dbdb1a8178a1a4a852b0b1a470d11cb47d","source":{"kind":"arxiv","id":"2410.18421","version":1},"attestation_state":"computed","paper":{"title":"Atomistic understanding of hydrogen coverage on RuO2(110) surface under electrochemical conditions from ab initio statistical thermodynamics","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["physics.chem-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Chia-Yi Lin, Darrell G. Schlom, Geoffroy Hautier, Ismaila Dabo, Jan Kloppenburg, Jin Suntivich, Lei Zhang, Luka Mitrovic, Simon Gelin","submitted_at":"2024-10-24T04:19:20Z","abstract_excerpt":"Understanding the dehydrogenation of transition metal oxide surfaces under electrochemical potential is critical to the control of important chemical processes such as the oxygen evolution reaction (OER). Using first principles computations, we model the thermodynamic dehydrogenation process on RuO$_2$(110) and compare the results to experimental cyclic voltammetry (CV) on single crystal. We use a cluster expansion model trained on *ab initio* energy data coupled with Monte Carlo (MC) sampling to derive the macroscopic electrochemical observables, i.e., experimental CV, from the energetics of "},"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":"2410.18421","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2024-10-24T04:19:20Z","cross_cats_sorted":["physics.chem-ph"],"title_canon_sha256":"6b13f9debd6eb54ba3c966ec0c2ad6282b3b493bdbdfb20df40aaef0d7b4cf6d","abstract_canon_sha256":"4a48a816723d9a91fd61feb8c57f80732a6039c3fce51abbe11cab8dd69037c3"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T09:25:21.108341Z","signature_b64":"klnJRneEM6B8+o2hoiziN3IoB5r4iXbEyi0k6MnDapadchXCki2VJBcqCspDvBllZ2TWpHrSq+pKCYzxeyp3CA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"df2c00f3700fe0b80c47ecc8805164dbdb1a8178a1a4a852b0b1a470d11cb47d","last_reissued_at":"2026-07-05T09:25:21.107819Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T09:25:21.107819Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Atomistic understanding of hydrogen coverage on RuO2(110) surface under electrochemical conditions from ab initio statistical thermodynamics","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["physics.chem-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Chia-Yi Lin, Darrell G. Schlom, Geoffroy Hautier, Ismaila Dabo, Jan Kloppenburg, Jin Suntivich, Lei Zhang, Luka Mitrovic, Simon Gelin","submitted_at":"2024-10-24T04:19:20Z","abstract_excerpt":"Understanding the dehydrogenation of transition metal oxide surfaces under electrochemical potential is critical to the control of important chemical processes such as the oxygen evolution reaction (OER). Using first principles computations, we model the thermodynamic dehydrogenation process on RuO$_2$(110) and compare the results to experimental cyclic voltammetry (CV) on single crystal. We use a cluster expansion model trained on *ab initio* energy data coupled with Monte Carlo (MC) sampling to derive the macroscopic electrochemical observables, i.e., experimental CV, from the energetics of "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2410.18421","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/2410.18421/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":"2410.18421","created_at":"2026-07-05T09:25:21.107890+00:00"},{"alias_kind":"arxiv_version","alias_value":"2410.18421v1","created_at":"2026-07-05T09:25:21.107890+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2410.18421","created_at":"2026-07-05T09:25:21.107890+00:00"},{"alias_kind":"pith_short_12","alias_value":"34WAB43QB7QL","created_at":"2026-07-05T09:25:21.107890+00:00"},{"alias_kind":"pith_short_16","alias_value":"34WAB43QB7QLQDCH","created_at":"2026-07-05T09:25:21.107890+00:00"},{"alias_kind":"pith_short_8","alias_value":"34WAB43Q","created_at":"2026-07-05T09:25:21.107890+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/34WAB43QB7QLQDCH5TEIAULE3P","json":"https://pith.science/pith/34WAB43QB7QLQDCH5TEIAULE3P.json","graph_json":"https://pith.science/api/pith-number/34WAB43QB7QLQDCH5TEIAULE3P/graph.json","events_json":"https://pith.science/api/pith-number/34WAB43QB7QLQDCH5TEIAULE3P/events.json","paper":"https://pith.science/paper/34WAB43Q"},"agent_actions":{"view_html":"https://pith.science/pith/34WAB43QB7QLQDCH5TEIAULE3P","download_json":"https://pith.science/pith/34WAB43QB7QLQDCH5TEIAULE3P.json","view_paper":"https://pith.science/paper/34WAB43Q","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=2410.18421&json=true","fetch_graph":"https://pith.science/api/pith-number/34WAB43QB7QLQDCH5TEIAULE3P/graph.json","fetch_events":"https://pith.science/api/pith-number/34WAB43QB7QLQDCH5TEIAULE3P/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/34WAB43QB7QLQDCH5TEIAULE3P/action/timestamp_anchor","attest_storage":"https://pith.science/pith/34WAB43QB7QLQDCH5TEIAULE3P/action/storage_attestation","attest_author":"https://pith.science/pith/34WAB43QB7QLQDCH5TEIAULE3P/action/author_attestation","sign_citation":"https://pith.science/pith/34WAB43QB7QLQDCH5TEIAULE3P/action/citation_signature","submit_replication":"https://pith.science/pith/34WAB43QB7QLQDCH5TEIAULE3P/action/replication_record"}},"created_at":"2026-07-05T09:25:21.107890+00:00","updated_at":"2026-07-05T09:25:21.107890+00:00"}