{"id":"W4353041861","doi":"10.1021/acscatal.3c00286","title":"Engineering Morphology and Ni Substitution of Ni<i><sub>x</sub></i>Co<sub>3–<i>x</i></sub>O<sub>4</sub> Spinel Oxides to Promote Catalytic Combustion of Ethane: Elucidating the Influence of Oxygen Defects","year":2023,"lang":"en","type":"article","venue":"ACS Catalysis","topic":"Catalytic Processes in Materials Science","field":"Materials Science","cited_by":117,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"China Petrochemical Corporation; China Postdoctoral Science Foundation; Central University Basic Research Fund of China; National Natural Science Foundation of China","keywords":"Catalysis; Spinel; Density functional theory; Redox; Transition metal; Vacancy defect; Dissociation (chemistry); Chemistry; Physical chemistry; Inorganic chemistry; Materials science; Crystallography; Computational chemistry","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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.003015159,0.0005091736,0.000987518,0.0006454127,0.0002315225,0.000107058,0.00121038,0.0002469397,0.000004125457],"category_scores_gemma":[0.003405397,0.0004652946,0.0001470893,0.002863407,0.000905437,0.0008518625,0.000857736,0.0002414028,0.0001314375],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001432593,"about_ca_system_score_gemma":0.0002499087,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002181129,"about_ca_topic_score_gemma":0.00007951895,"domain_scores_codex":[0.9955907,0.0001381765,0.001376456,0.001052229,0.001006319,0.0008361444],"domain_scores_gemma":[0.9964709,0.000452248,0.001028956,0.001293339,0.0005441941,0.0002103452],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00006006907,0.0000646695,0.0003764624,0.0008706785,0.00004966281,0.00001757769,0.001005918,0.02789847,0.9685418,0.00008389563,0.00005360389,0.0009771769],"study_design_scores_gemma":[0.0003847821,0.0001230682,0.01579778,0.0003952388,0.0002681701,0.00008552284,0.0001521752,0.0007962167,0.9813625,0.0001989923,0.000003502177,0.0004320622],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9969876,0.0001588749,0.001251008,0.0001113431,0.0003877943,0.0007276081,0.0001913659,0.0001740977,0.00001028728],"genre_scores_gemma":[0.998866,0.0002222995,0.0004294548,0.00006787146,0.00007142353,0.0001210104,0.0001629516,0.00005697901,0.000001983062],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02710225,"threshold_uncertainty_score":0.9997799,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01043623023009189,"score_gpt":0.2356179073522011,"score_spread":0.2251816771221092,"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."}}