{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2021:4SRHLIGGE6GSYAX4PNOV5IAWZU","short_pith_number":"pith:4SRHLIGG","canonical_record":{"source":{"id":"2107.00477","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.comp-ph","submitted_at":"2021-06-30T14:37:43Z","cross_cats_sorted":["cond-mat.mtrl-sci"],"title_canon_sha256":"9335f3da66980888ff004b6205b38f08878c8d8f4f16bfcb3179c8d65debf931","abstract_canon_sha256":"86ca9842c19c157012b10e7ddd79dd257ae09af73a326dc1cb084b7e80dc6f16"},"schema_version":"1.0"},"canonical_sha256":"e4a275a0c6278d2c02fc7b5d5ea016cd277439cd0231dbf86a3133aae3a1f03d","source":{"kind":"arxiv","id":"2107.00477","version":2},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2107.00477","created_at":"2026-07-05T03:23:12Z"},{"alias_kind":"arxiv_version","alias_value":"2107.00477v2","created_at":"2026-07-05T03:23:12Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2107.00477","created_at":"2026-07-05T03:23:12Z"},{"alias_kind":"pith_short_12","alias_value":"4SRHLIGGE6GS","created_at":"2026-07-05T03:23:12Z"},{"alias_kind":"pith_short_16","alias_value":"4SRHLIGGE6GSYAX4","created_at":"2026-07-05T03:23:12Z"},{"alias_kind":"pith_short_8","alias_value":"4SRHLIGG","created_at":"2026-07-05T03:23:12Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2021:4SRHLIGGE6GSYAX4PNOV5IAWZU","target":"record","payload":{"canonical_record":{"source":{"id":"2107.00477","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.comp-ph","submitted_at":"2021-06-30T14:37:43Z","cross_cats_sorted":["cond-mat.mtrl-sci"],"title_canon_sha256":"9335f3da66980888ff004b6205b38f08878c8d8f4f16bfcb3179c8d65debf931","abstract_canon_sha256":"86ca9842c19c157012b10e7ddd79dd257ae09af73a326dc1cb084b7e80dc6f16"},"schema_version":"1.0"},"canonical_sha256":"e4a275a0c6278d2c02fc7b5d5ea016cd277439cd0231dbf86a3133aae3a1f03d","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T03:23:12.313456Z","signature_b64":"LqoqkOKu8OzOr2GLavlkNlEh08I0T5BKPm+KW91pwVjH4vUZQ4wHIfXuqCRrmhNUo3mC7009cvYP1+FC3XD4AQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"e4a275a0c6278d2c02fc7b5d5ea016cd277439cd0231dbf86a3133aae3a1f03d","last_reissued_at":"2026-07-05T03:23:12.313089Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T03:23:12.313089Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2107.00477","source_version":2,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-07-05T03:23:12Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"HgX5a4SektXQ0n2lt24fhYSnaGGoUXaWAZa1YhPrTDZYwybH3r0PmkanfHr+Jq/GwQCdqR0zgJj+gvrmtPbhDQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-06T08:32:29.484016Z"},"content_sha256":"af7edd976efa2100788c1d9216b761c8175f03e54890a15f2c70eb029857d7b0","schema_version":"1.0","event_id":"sha256:af7edd976efa2100788c1d9216b761c8175f03e54890a15f2c70eb029857d7b0"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2021:4SRHLIGGE6GSYAX4PNOV5IAWZU","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Towards targeted kinetic trapping of organic-inorganic interfaces: A computational case study","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["cond-mat.mtrl-sci"],"primary_cat":"physics.comp-ph","authors_text":"Andreas Jeindl, Anna Werkovits, Johannes Cartus, Lukas H\\\"ormann, Oliver T. Hofmann","submitted_at":"2021-06-30T14:37:43Z","abstract_excerpt":"Properties of inorganic-organic interfaces, such as their interface dipole, strongly depend on the structural arrangements of the organic molecules. A prime example is tetracyanoethylene (TCNE) on Cu(111), which shows two different phases with significantly different work functions. However, the thermodynamically pre-ferred phase is not always the one that is best suited for a given application. Rather, it may be desirable to selectively grow a kinetically trapped structure. In this work, we employ density functional theory and transi-tion state theory to discuss under which conditions such a "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2107.00477","kind":"arxiv","version":2},"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/2107.00477/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"},"verdict_id":null},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-07-05T03:23:12Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"qjH0YtIGeq0D01g7UbKxXjoNoKrujBxszQQsdxCKsU1VqgTpKAg020+BhLAGkMip9+UnOsDMBDT95epngINaAQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-06T08:32:29.484413Z"},"content_sha256":"273635ce894405c6b1487ca0cf02af1747a22760c6c899d0015385e1e178d189","schema_version":"1.0","event_id":"sha256:273635ce894405c6b1487ca0cf02af1747a22760c6c899d0015385e1e178d189"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/4SRHLIGGE6GSYAX4PNOV5IAWZU/bundle.json","state_url":"https://pith.science/pith/4SRHLIGGE6GSYAX4PNOV5IAWZU/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/4SRHLIGGE6GSYAX4PNOV5IAWZU/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":"2026-07-06T08:32:29Z","links":{"resolver":"https://pith.science/pith/4SRHLIGGE6GSYAX4PNOV5IAWZU","bundle":"https://pith.science/pith/4SRHLIGGE6GSYAX4PNOV5IAWZU/bundle.json","state":"https://pith.science/pith/4SRHLIGGE6GSYAX4PNOV5IAWZU/state.json","well_known_bundle":"https://pith.science/.well-known/pith/4SRHLIGGE6GSYAX4PNOV5IAWZU/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2021:4SRHLIGGE6GSYAX4PNOV5IAWZU","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":"86ca9842c19c157012b10e7ddd79dd257ae09af73a326dc1cb084b7e80dc6f16","cross_cats_sorted":["cond-mat.mtrl-sci"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.comp-ph","submitted_at":"2021-06-30T14:37:43Z","title_canon_sha256":"9335f3da66980888ff004b6205b38f08878c8d8f4f16bfcb3179c8d65debf931"},"schema_version":"1.0","source":{"id":"2107.00477","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2107.00477","created_at":"2026-07-05T03:23:12Z"},{"alias_kind":"arxiv_version","alias_value":"2107.00477v2","created_at":"2026-07-05T03:23:12Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2107.00477","created_at":"2026-07-05T03:23:12Z"},{"alias_kind":"pith_short_12","alias_value":"4SRHLIGGE6GS","created_at":"2026-07-05T03:23:12Z"},{"alias_kind":"pith_short_16","alias_value":"4SRHLIGGE6GSYAX4","created_at":"2026-07-05T03:23:12Z"},{"alias_kind":"pith_short_8","alias_value":"4SRHLIGG","created_at":"2026-07-05T03:23:12Z"}],"graph_snapshots":[{"event_id":"sha256:273635ce894405c6b1487ca0cf02af1747a22760c6c899d0015385e1e178d189","target":"graph","created_at":"2026-07-05T03:23:12Z","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"},"integrity":{"available":true,"clean":true,"detectors_run":[],"endpoint":"/pith/2107.00477/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Properties of inorganic-organic interfaces, such as their interface dipole, strongly depend on the structural arrangements of the organic molecules. A prime example is tetracyanoethylene (TCNE) on Cu(111), which shows two different phases with significantly different work functions. However, the thermodynamically pre-ferred phase is not always the one that is best suited for a given application. Rather, it may be desirable to selectively grow a kinetically trapped structure. In this work, we employ density functional theory and transi-tion state theory to discuss under which conditions such a ","authors_text":"Andreas Jeindl, Anna Werkovits, Johannes Cartus, Lukas H\\\"ormann, Oliver T. Hofmann","cross_cats":["cond-mat.mtrl-sci"],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.comp-ph","submitted_at":"2021-06-30T14:37:43Z","title":"Towards targeted kinetic trapping of organic-inorganic interfaces: A computational case study"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2107.00477","kind":"arxiv","version":2},"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:af7edd976efa2100788c1d9216b761c8175f03e54890a15f2c70eb029857d7b0","target":"record","created_at":"2026-07-05T03:23:12Z","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":"86ca9842c19c157012b10e7ddd79dd257ae09af73a326dc1cb084b7e80dc6f16","cross_cats_sorted":["cond-mat.mtrl-sci"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.comp-ph","submitted_at":"2021-06-30T14:37:43Z","title_canon_sha256":"9335f3da66980888ff004b6205b38f08878c8d8f4f16bfcb3179c8d65debf931"},"schema_version":"1.0","source":{"id":"2107.00477","kind":"arxiv","version":2}},"canonical_sha256":"e4a275a0c6278d2c02fc7b5d5ea016cd277439cd0231dbf86a3133aae3a1f03d","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"e4a275a0c6278d2c02fc7b5d5ea016cd277439cd0231dbf86a3133aae3a1f03d","first_computed_at":"2026-07-05T03:23:12.313089Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T03:23:12.313089Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"LqoqkOKu8OzOr2GLavlkNlEh08I0T5BKPm+KW91pwVjH4vUZQ4wHIfXuqCRrmhNUo3mC7009cvYP1+FC3XD4AQ==","signature_status":"signed_v1","signed_at":"2026-07-05T03:23:12.313456Z","signed_message":"canonical_sha256_bytes"},"source_id":"2107.00477","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:af7edd976efa2100788c1d9216b761c8175f03e54890a15f2c70eb029857d7b0","sha256:273635ce894405c6b1487ca0cf02af1747a22760c6c899d0015385e1e178d189"],"state_sha256":"8261426c4bac064ec68ffbdde42f114a507861a3a895bbf0decc712948fa6ee9"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"ugLVyGHutS5ncGJ0oSvfW2NEl52Y2TX6/S1DGtsg2Ijtl1C+MqqB4T1oBo/2uU9ZVx/7Y6sHPb3lbJ5eyePCBA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-07-06T08:32:29.486420Z","bundle_sha256":"45502127eeac2e93b889578b59542a2544fc036c168d657e3b2c9a0696f7ff94"}}