{"id":"W4288068185","doi":"10.1021/acs.jpcc.2c01630","title":"Robust Analysis of 4e <sup>–</sup> Versus 6e <sup>–</sup> Reduction of Nitrogen on Metal Surfaces and Single-Atom Alloys","year":2022,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"Ammonia Synthesis and Nitrogen Reduction","field":"Chemical Engineering","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Natural Sciences and Engineering Research Council of Canada; Advanced Research Projects Agency - Energy","keywords":"Catalysis; Chemistry; Redox; Selectivity; Hydrazine (antidepressant); Branching (polymer chemistry); Ammonia production; Electrochemistry; Nitrogen; Metal; Computational chemistry; Inorganic chemistry; Physical chemistry; Organic chemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004530119,0.0002389324,0.0007080438,0.0001041634,0.0001235582,0.00001278644,0.0003546809,0.00007170415,0.0001970626],"category_scores_gemma":[0.0001083137,0.0001860327,0.0005371756,0.0006386384,0.0001755578,0.0001201851,0.0001199542,0.0005414946,0.000001038628],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001558126,"about_ca_system_score_gemma":0.00004396084,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003153053,"about_ca_topic_score_gemma":1.554905e-7,"domain_scores_codex":[0.9981431,0.0001200488,0.0005915339,0.0002025533,0.0007095915,0.000233137],"domain_scores_gemma":[0.99845,0.0003755266,0.0005979965,0.0003054387,0.0001531672,0.0001178711],"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":[0.0005309441,0.0002797045,0.00002402245,0.00003488133,0.001401583,0.000001627674,0.0005240317,0.445281,0.5515965,0.00003034937,0.00003513276,0.0002602696],"study_design_scores_gemma":[0.0005847759,0.0002477389,0.00001908393,0.00002624028,0.002589835,0.00004164715,0.002637472,0.121181,0.8723266,0.00006913864,0.0001181896,0.0001583374],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9990728,0.0003621338,0.00005486701,0.0001216717,0.00003013535,0.0000571114,0.00004966484,0.00001566443,0.0002359511],"genre_scores_gemma":[0.9993684,0.00002724104,0.0001798744,0.000003465105,0.0003125183,0.00000333485,0.00001427372,0.00002893647,0.00006192007],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.3241,"threshold_uncertainty_score":0.7586194,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02176996136255191,"score_gpt":0.225630266840869,"score_spread":0.2038603054783171,"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."}}