{"id":"W4409784647","doi":"10.1021/acs.inorgchem.4c05395","title":"Insight into Oxidative Desulfurization Mechanism from the Interaction between Different Facets of TiO<sub>2</sub> and V Single Atom or V<sub>2</sub>O<sub>5</sub> Cluster","year":2025,"lang":"en","type":"article","venue":"Inorganic Chemistry","topic":"Catalytic Processes in Materials Science","field":"Materials Science","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"Petro-Canada","funders":"State Key Laboratory of Heavy Oil Processing; China Postdoctoral Science Foundation","keywords":"Chemistry; Cluster (spacecraft); Flue-gas desulfurization; Atom (system on chip); Mechanism (biology); Oxidative phosphorylation; Crystallography; Computational chemistry; Chemical physics; Stereochemistry; Organic 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001010888,0.0003849614,0.000193316,0.0001375245,0.0002380571,0.0002542344,0.0003853873,0.0003851787,0.001449299],"category_scores_gemma":[0.0001504677,0.000155674,0.0003525142,0.00009650832,0.0002974379,0.0004433253,0.0003060475,0.0003192045,0.0001338671],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003811596,"about_ca_system_score_gemma":0.0004479489,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002058873,"about_ca_topic_score_gemma":0.003587702,"domain_scores_codex":[0.9999491,0.000005171136,0.000001586009,0.000005361058,0.00002295962,0.00001585992],"domain_scores_gemma":[0.9999672,0.00001299458,0.00000558541,0.000003910618,0.000007094376,0.000003121077],"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":[0.0003356231,0.0001628038,0.007761822,0.00124255,0.0001739897,0.0008663906,0.0004567866,0.1310357,0.7520169,0.07076209,0.001560659,0.03362465],"study_design_scores_gemma":[0.00003935693,0.0002190615,0.008410518,0.00004353167,0.0001112489,0.0002426076,0.0008209391,0.8163,0.1527479,0.01640554,0.004616611,0.00004267536],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9577219,0.001308272,0.0288822,0.0004048051,0.00005534786,0.00003094205,0.0001634639,0.000161849,0.01127112],"genre_scores_gemma":[0.9955611,0.0004379309,0.00322474,0.00002822069,0.000003415161,0.00001082678,0.0000756894,0.00001076964,0.0006473205],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002058873,"threshold_uncertainty_score":0.004848361,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01173940731326258,"score_gpt":0.2366495184868364,"score_spread":0.2249101111735738,"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."}}