{"id":"W7108343564","doi":"10.1016/j.mineng.2025.109985","title":"DFT investigation on the adsorption of O2 and sodium butyl xanthate on pristine and oxidized violarite (FeNi2S4) (110) surfaces: Insights into surface reactivity and flotation behavior","year":2025,"lang":"en","type":"article","venue":"Minerals Engineering","topic":"Minerals Flotation and Separation Techniques","field":"Environmental Science","cited_by":1,"is_retracted":false,"has_abstract":false,"ca_institutions":"Nickel Institute","funders":"Science and Technology Program of Hunan Province; National Natural Science Foundation of China","keywords":"Adsorption; Xanthate; Reactivity (psychology); Density functional theory; Electron transfer; Hydroxylation; Oxygen","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":[0.00008522419,0.0003382542,0.0004082664,0.0002016094,0.0004965469,0.0002324855,0.0006763513,0.0006075852,0.004670238],"category_scores_gemma":[0.000177371,0.0001550128,0.000311846,0.0001708831,0.0002983294,0.0002639395,0.0003103983,0.0004089183,0.0002310855],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003304931,"about_ca_system_score_gemma":0.0002225534,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003861529,"about_ca_topic_score_gemma":0.00550656,"domain_scores_codex":[0.999913,0.000006231006,0.000002189386,0.00001025465,0.00003406791,0.00003424306],"domain_scores_gemma":[0.9999436,0.00002513221,0.000005025287,0.000006301541,0.00001314122,0.000006782406],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.002370924,0.0005997813,0.01758248,0.001653817,0.0002540096,0.002641845,0.0008905988,0.08981112,0.825604,0.02226387,0.004929182,0.03139839],"study_design_scores_gemma":[0.0001790857,0.001322195,0.04580728,0.00009651522,0.0001242452,0.0005315978,0.001692214,0.6745051,0.2679931,0.004171522,0.003493364,0.00008389859],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9948815,0.0001593419,0.0006936875,0.0001170712,0.00001933623,0.000007277822,0.0001747437,0.00003174844,0.003915365],"genre_scores_gemma":[0.9987729,0.0001120838,0.0002587997,0.00002476296,0.000003858981,0.00001030125,0.0002060562,0.000005862582,0.0006054848],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004670238,"threshold_uncertainty_score":0.01562351,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01425518492552629,"score_gpt":0.2301258855483817,"score_spread":0.2158707006228554,"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."}}