{"paper":{"title":"Digging its own Site: Linear Coordination Stabilizes a Pt1/Fe2O3 Single-Atom Catalyst","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Ali Rafsanjani-Abbasi, Cesare Franchini, Erik Rheinfrank, Faith J. Lewis, Florian Buchner, Florian Kraushofer, Gareth S. Parkinson, Georg K. H. Madsen, Giada Franceschi, Jiri Pavelec, Lena Puntscher, Matthias Meier, Michael Schmid, Michele Riva, Moritz Eder, Panukorn Sombut, Ulrike Diebold, Viktor C. Birschitzky","submitted_at":"2024-06-26T17:54:17Z","abstract_excerpt":"Determining the local coordination of the active site is a pre-requisite for the reliable modeling of single-atom catalysts (SACs). Obtaining such information is difficult on powder-based systems, so much emphasis is placed on density functional theory-based computations based on idealized low-index surfaces of the support. In this work, we investigate how Pt atoms bind to the (1-102) facet of Fe2O3, a common support material in SAC. Using a combination of scanning tunneling microscopy (STM), x-ray photoelectron spectroscopy (XPS), and an extensive computational evolutionary search, we find th"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2406.18525","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/2406.18525/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"}