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Amongst the many possible MOFs, metal-substituted compounds based on M-DOBDC and M-HKUST-1 have demonstrated amongst the highest CO2 capacities at the low pressures typical of flue gasses. Here we explore the possibility for additional performance tuning of these compounds by computationally screening 36 metal-substituted variants (M = Be, Mg, Ca, Sr, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Mo, W, Sn, and Pb) with respect to their CO2 adsor"},"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":"1603.03192","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2016-03-10T09:26:02Z","cross_cats_sorted":["physics.comp-ph"],"title_canon_sha256":"b558408b1740400e4d3cb65aa48a46745bca4516699f313a0ac17ae71e770b54","abstract_canon_sha256":"2c52bc7aa060c64bdf9b3844d791c380b3ef8c083b2d0c7224572d63460b6a5b"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T01:19:16.801499Z","signature_b64":"35ENfEC/nYM6032nF5jTNvLaP82leZGZy7WBUvZdIcCgU+yXPtDPE3WRE/87Fqs24PwbIkB9gXS7Ij8i/4zuDQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"80689bf01619e71cd19457a64ddc39a108cf7364ad4f56fa8f218ae8c1e917f7","last_reissued_at":"2026-05-18T01:19:16.801138Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T01:19:16.801138Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Thermodynamic Screening of Metal-Substituted MOFs for Carbon Capture","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Donald J. 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