{"id":"W4220960780","doi":"10.1002/adma.202110123","title":"A Sulfur‐Tolerant MOF‐Based Single‐Atom Fe Catalyst for Efficient Oxidation of NO and Hg<sup>0</sup>","year":2022,"lang":"en","type":"article","venue":"Advanced Materials","topic":"Catalytic Processes in Materials Science","field":"Materials Science","cited_by":75,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"Fundamental Research Funds for the Central Universities; National Natural Science Foundation of China","keywords":"Catalysis; Oxidizing agent; Sulfur; Adsorption; Selectivity; Materials science; Atom (system on chip); Inorganic chemistry; Density functional theory; Photochemistry; Chemical engineering; Chemistry; Physical chemistry; Organic chemistry; Computational chemistry; Metallurgy","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":[0.002022577,0.000315687,0.0006446686,0.0001674397,0.0004339372,0.0001803524,0.0006485496,0.00006171541,0.0007360691],"category_scores_gemma":[0.0006193932,0.0003108186,0.00006463185,0.0003079136,0.0003178316,0.0003373909,0.000462317,0.00005335672,0.00004082307],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002296629,"about_ca_system_score_gemma":0.0002077453,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005065283,"about_ca_topic_score_gemma":0.000002209174,"domain_scores_codex":[0.996792,0.0001423595,0.0008904426,0.0008160512,0.0007875151,0.0005716544],"domain_scores_gemma":[0.9979272,0.0003013388,0.0006258026,0.0006481371,0.0003787168,0.0001187898],"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":[0.0005669559,0.0001747952,0.000004397079,0.0004255001,0.000005223107,0.00000404415,0.0003251834,0.01805482,0.9796063,0.0005708716,0.00007007906,0.0001918859],"study_design_scores_gemma":[0.001338191,0.000345468,0.0000245572,0.00006625974,0.00003888777,0.00002478193,0.000211233,0.001773913,0.9925547,0.0007230581,0.002546749,0.0003521979],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9896783,0.0001148494,0.006098462,0.0001136826,0.001356028,0.00109188,0.001316207,0.0001337869,0.00009686442],"genre_scores_gemma":[0.9836418,0.000003975882,0.01530235,0.000174696,0.0001142782,0.0004754296,0.0001763233,0.00004859178,0.0000625311],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0162809,"threshold_uncertainty_score":0.9999344,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01305351322519025,"score_gpt":0.2528240625910188,"score_spread":0.2397705493658286,"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."}}