{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2018:RE7SVMULXLVVUHQPQKU45ETDDG","short_pith_number":"pith:RE7SVMUL","canonical_record":{"source":{"id":"1806.03895","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2018-06-11T10:30:37Z","cross_cats_sorted":[],"title_canon_sha256":"d4ad6c14e5fe9e5627e92b6090e77cc39c7d7e40b274a254b01416c2b06f754f","abstract_canon_sha256":"80deb91f447cdf126f51ed292fa26fc4c879256e6a445731be4f3d9eed9fcfea"},"schema_version":"1.0"},"canonical_sha256":"893f2ab28bbaeb5a1e0f82a9ce92631997928b40ecbf320ceb162706090719aa","source":{"kind":"arxiv","id":"1806.03895","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1806.03895","created_at":"2026-05-17T23:57:41Z"},{"alias_kind":"arxiv_version","alias_value":"1806.03895v1","created_at":"2026-05-17T23:57:41Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1806.03895","created_at":"2026-05-17T23:57:41Z"},{"alias_kind":"pith_short_12","alias_value":"RE7SVMULXLVV","created_at":"2026-05-18T12:32:50Z"},{"alias_kind":"pith_short_16","alias_value":"RE7SVMULXLVVUHQP","created_at":"2026-05-18T12:32:50Z"},{"alias_kind":"pith_short_8","alias_value":"RE7SVMUL","created_at":"2026-05-18T12:32:50Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2018:RE7SVMULXLVVUHQPQKU45ETDDG","target":"record","payload":{"canonical_record":{"source":{"id":"1806.03895","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2018-06-11T10:30:37Z","cross_cats_sorted":[],"title_canon_sha256":"d4ad6c14e5fe9e5627e92b6090e77cc39c7d7e40b274a254b01416c2b06f754f","abstract_canon_sha256":"80deb91f447cdf126f51ed292fa26fc4c879256e6a445731be4f3d9eed9fcfea"},"schema_version":"1.0"},"canonical_sha256":"893f2ab28bbaeb5a1e0f82a9ce92631997928b40ecbf320ceb162706090719aa","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-17T23:57:41.118825Z","signature_b64":"vibyplttyxff87rlvRj9Fw4Hv42zJ66m+CkyDLYiDhy1jSaQ32yfSlEdDKQURpx2WYECOv1PoYIaI1EK3cwLCg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"893f2ab28bbaeb5a1e0f82a9ce92631997928b40ecbf320ceb162706090719aa","last_reissued_at":"2026-05-17T23:57:41.118363Z","signature_status":"signed_v1","first_computed_at":"2026-05-17T23:57:41.118363Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"1806.03895","source_version":1,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-17T23:57:41Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"n7GZVeCwvfNIpnrM5ev/7PFiO/ejNgPNHgk3p/Vi4yQ94J+/lIUSe3MXa3uz4gtFudnQ9qRNmEMIqyvS1qg4Bg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-03T03:01:31.318560Z"},"content_sha256":"dce07f7c7b3a67bd98325cc3eb70bd10c138fe6c9e3e7c3e3886d79707ce98e3","schema_version":"1.0","event_id":"sha256:dce07f7c7b3a67bd98325cc3eb70bd10c138fe6c9e3e7c3e3886d79707ce98e3"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2018:RE7SVMULXLVVUHQPQKU45ETDDG","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Core electron binding energies of adsorbates on Cu(111) from first-principles calculations","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"J. Matthias Kahk, Johannes Lischner","submitted_at":"2018-06-11T10:30:37Z","abstract_excerpt":"Core-level X-ray Photoelectron Spectroscopy (XPS) is often used to study the surfaces of heterogeneous copper-based catalysts, but the interpretation of measured spectra, in particular the assignment of peaks to adsorbed species, can be extremely challenging. In this study we demonstrate that first principles calculations using the delta Self Consistent Field (delta-SCF) method can be used to guide the analysis of experimental core-level spectra of complex surfaces relevant to heterogeneous catalysis. Specifically, we calculate core-level binding energy shifts for a series of adsorbates on Cu("},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1806.03895","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":""},"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"},"verdict_id":null},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-17T23:57:41Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"hn5Qq9Xdr7fq7MqZv1Vw/p4dw3ZEmpPHHpIyxfErWkENHCk9uZM8K2AaXbO/Lpj7HnmuDbrIBhvtiX2emsl0Cg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-06-03T03:01:31.318911Z"},"content_sha256":"bf2b96b566474aa8ae8969e3d68e1f32f98c31a87fde17896903b9acb44cce4d","schema_version":"1.0","event_id":"sha256:bf2b96b566474aa8ae8969e3d68e1f32f98c31a87fde17896903b9acb44cce4d"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/RE7SVMULXLVVUHQPQKU45ETDDG/bundle.json","state_url":"https://pith.science/pith/RE7SVMULXLVVUHQPQKU45ETDDG/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/RE7SVMULXLVVUHQPQKU45ETDDG/bundle.json","status":"primary"}],"public_keys":[{"key_id":"pith-v1-2026-05","algorithm":"ed25519","format":"raw","public_key_b64":"stVStoiQhXFxp4s2pdzPNoqVNBMojDU/fJ2db5S3CbM=","public_key_hex":"b2d552b68890857171a78b36a5dccf368a953413288c353f7c9d9d6f94b709b3","fingerprint_sha256_b32_first128bits":"RVFV5Z2OI2J3ZUO7ERDEBCYNKS","fingerprint_sha256_hex":"8d4b5ee74e4693bcd1df2446408b0d54","rotates_at":null,"url":"https://pith.science/pith-signing-key.json","notes":"Pith uses this Ed25519 key to sign canonical record SHA-256 digests. Verify with: ed25519_verify(public_key, message=canonical_sha256_bytes, signature=base64decode(signature_b64))."}],"merge_version":"pith-open-graph-merge-v1","built_at":"2026-06-03T03:01:31Z","links":{"resolver":"https://pith.science/pith/RE7SVMULXLVVUHQPQKU45ETDDG","bundle":"https://pith.science/pith/RE7SVMULXLVVUHQPQKU45ETDDG/bundle.json","state":"https://pith.science/pith/RE7SVMULXLVVUHQPQKU45ETDDG/state.json","well_known_bundle":"https://pith.science/.well-known/pith/RE7SVMULXLVVUHQPQKU45ETDDG/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2018:RE7SVMULXLVVUHQPQKU45ETDDG","merge_version":"pith-open-graph-merge-v1","event_count":2,"valid_event_count":2,"invalid_event_count":0,"equivocation_count":0,"current":{"canonical_record":{"metadata":{"abstract_canon_sha256":"80deb91f447cdf126f51ed292fa26fc4c879256e6a445731be4f3d9eed9fcfea","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2018-06-11T10:30:37Z","title_canon_sha256":"d4ad6c14e5fe9e5627e92b6090e77cc39c7d7e40b274a254b01416c2b06f754f"},"schema_version":"1.0","source":{"id":"1806.03895","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1806.03895","created_at":"2026-05-17T23:57:41Z"},{"alias_kind":"arxiv_version","alias_value":"1806.03895v1","created_at":"2026-05-17T23:57:41Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1806.03895","created_at":"2026-05-17T23:57:41Z"},{"alias_kind":"pith_short_12","alias_value":"RE7SVMULXLVV","created_at":"2026-05-18T12:32:50Z"},{"alias_kind":"pith_short_16","alias_value":"RE7SVMULXLVVUHQP","created_at":"2026-05-18T12:32:50Z"},{"alias_kind":"pith_short_8","alias_value":"RE7SVMUL","created_at":"2026-05-18T12:32:50Z"}],"graph_snapshots":[{"event_id":"sha256:bf2b96b566474aa8ae8969e3d68e1f32f98c31a87fde17896903b9acb44cce4d","target":"graph","created_at":"2026-05-17T23:57:41Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"graph_snapshot":{"author_claims":{"count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","strong_count":0},"builder_version":"pith-number-builder-2026-05-17-v1","claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"paper":{"abstract_excerpt":"Core-level X-ray Photoelectron Spectroscopy (XPS) is often used to study the surfaces of heterogeneous copper-based catalysts, but the interpretation of measured spectra, in particular the assignment of peaks to adsorbed species, can be extremely challenging. In this study we demonstrate that first principles calculations using the delta Self Consistent Field (delta-SCF) method can be used to guide the analysis of experimental core-level spectra of complex surfaces relevant to heterogeneous catalysis. Specifically, we calculate core-level binding energy shifts for a series of adsorbates on Cu(","authors_text":"J. Matthias Kahk, Johannes Lischner","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2018-06-11T10:30:37Z","title":"Core electron binding energies of adsorbates on Cu(111) from first-principles calculations"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1806.03895","kind":"arxiv","version":1},"verdict":{"created_at":null,"id":null,"model_set":{},"one_line_summary":"","pipeline_version":null,"pith_extraction_headline":"","strongest_claim":"","weakest_assumption":""}},"verdict_id":null}}],"author_attestations":[],"timestamp_anchors":[],"storage_attestations":[],"citation_signatures":[],"replication_records":[],"corrections":[],"mirror_hints":[],"record_created":{"event_id":"sha256:dce07f7c7b3a67bd98325cc3eb70bd10c138fe6c9e3e7c3e3886d79707ce98e3","target":"record","created_at":"2026-05-17T23:57:41Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"attestation_state":"computed","canonical_record":{"metadata":{"abstract_canon_sha256":"80deb91f447cdf126f51ed292fa26fc4c879256e6a445731be4f3d9eed9fcfea","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2018-06-11T10:30:37Z","title_canon_sha256":"d4ad6c14e5fe9e5627e92b6090e77cc39c7d7e40b274a254b01416c2b06f754f"},"schema_version":"1.0","source":{"id":"1806.03895","kind":"arxiv","version":1}},"canonical_sha256":"893f2ab28bbaeb5a1e0f82a9ce92631997928b40ecbf320ceb162706090719aa","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"893f2ab28bbaeb5a1e0f82a9ce92631997928b40ecbf320ceb162706090719aa","first_computed_at":"2026-05-17T23:57:41.118363Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-17T23:57:41.118363Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"vibyplttyxff87rlvRj9Fw4Hv42zJ66m+CkyDLYiDhy1jSaQ32yfSlEdDKQURpx2WYECOv1PoYIaI1EK3cwLCg==","signature_status":"signed_v1","signed_at":"2026-05-17T23:57:41.118825Z","signed_message":"canonical_sha256_bytes"},"source_id":"1806.03895","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:dce07f7c7b3a67bd98325cc3eb70bd10c138fe6c9e3e7c3e3886d79707ce98e3","sha256:bf2b96b566474aa8ae8969e3d68e1f32f98c31a87fde17896903b9acb44cce4d"],"state_sha256":"62b72ee0dfa065fb0a02a128675ddaa72b848100e1475b68f87d11ff533fdf09"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"WJi83S0lJTikFM0VlSc6WL3HJ4qEZLMro4zR8lK4k08dgl4PGSJGkrN7vp6vAdeA7qGJZpLowZhSLUmjdHgGDw==","signed_message":"bundle_sha256_bytes","signed_at":"2026-06-03T03:01:31.320912Z","bundle_sha256":"db3ef1c4c38827060150a78d336ac42b74479a31212ba5996f88cbb735ce54cf"}}