{"id":"W4400105705","doi":"10.1016/j.seppur.2024.128613","title":"CO2 adsorption by Cr, Mn, Fe, Co, Ni doped MgO(1 0 0) surfaces: A first-principles study","year":2024,"lang":"en","type":"article","venue":"Separation and Purification Technology","topic":"Carbon Dioxide Capture Technologies","field":"Engineering","cited_by":13,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Alberta","funders":"","keywords":"Adsorption; Doping; Manganese; Chemical engineering; Materials science; Coprecipitation; Chromium; Chemistry; Metallurgy; Inorganic chemistry; Physical chemistry; Engineering","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002031133,0.0002264046,0.000224995,0.0005183824,0.00005967906,0.0001354908,0.0002156662,0.0003966824,0.00004974921],"category_scores_gemma":[0.00007118213,0.0002312503,0.00003361951,0.0007742415,0.0001389861,0.0002116933,0.00003747267,0.0003270493,0.0001478079],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009840295,"about_ca_system_score_gemma":0.00001884407,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001385874,"about_ca_topic_score_gemma":0.0001147706,"domain_scores_codex":[0.9988157,0.00002536225,0.000369387,0.0004134814,0.0001565691,0.0002195556],"domain_scores_gemma":[0.99933,0.00005229855,0.00005194519,0.0004637017,0.00006357169,0.00003843326],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"not_applicable","study_design_scores_codex":[0.00008233603,0.0005324668,0.007531052,0.0007358325,0.0006971211,0.00004168789,0.004026982,0.01866683,0.5616388,0.1631529,0.2159389,0.02695511],"study_design_scores_gemma":[0.0009707456,0.0003816306,0.0025016,0.00008606297,0.0001255658,0.00006797128,0.004575356,0.2297036,0.1989449,0.00532009,0.556345,0.0009775377],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9748958,0.008342237,0.003912101,0.002950633,0.0003493283,0.0008390655,0.00006203372,0.007265038,0.001383786],"genre_scores_gemma":[0.9974425,0.001059245,0.0002735862,0.00002131619,0.00002484738,0.000289992,0.0001222247,0.00003679455,0.0007294837],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.3626939,"threshold_uncertainty_score":0.9430116,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01684525309854653,"score_gpt":0.2666405767966664,"score_spread":0.2497953236981198,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}