{"id":"W4220907237","doi":"10.26434/chemrxiv-2022-197kq","title":"Robust Analysis of 4e− vs 6e− reduction ofNitrogen on metal surfaces and single atom alloys","year":2022,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Ammonia Synthesis and Nitrogen Reduction","field":"Chemical Engineering","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Natural Sciences and Engineering Research Council of Canada; Advanced Research Projects Agency; Advanced Research Projects Agency - Energy; U.S. Department of Energy","keywords":"Catalysis; Chemistry; Selectivity; Branching (polymer chemistry); Hydrazine (antidepressant); Redox; Ammonia production; Electrochemistry; Computational chemistry; Inorganic chemistry; Combinatorial chemistry; Organic chemistry; Physical 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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0003000544,0.0003775258,0.0008875088,0.0004187987,0.00009066479,0.00003614989,0.0002644322,0.0002992339,0.000748353],"category_scores_gemma":[0.00006566269,0.0003906835,0.0005442632,0.0005691266,0.0001004874,0.00006831912,0.0003739465,0.0005643387,0.000005014592],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002128373,"about_ca_system_score_gemma":0.00003784607,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001621301,"about_ca_topic_score_gemma":0.000004920166,"domain_scores_codex":[0.9980031,0.0000656787,0.0005260697,0.0007266059,0.0004093975,0.0002691246],"domain_scores_gemma":[0.9987407,0.00008755432,0.0003826554,0.0005979954,0.00008159792,0.0001094457],"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":[0.0001617475,0.0003719928,0.001025834,0.0002845759,0.005808134,0.000004904735,0.0003715009,0.1831506,0.8071257,0.0004739377,0.0001665285,0.001054564],"study_design_scores_gemma":[0.0001817994,0.00006161443,0.0007615172,0.0000590397,0.003530202,0.000006458687,0.0003715229,0.02120648,0.9720298,0.0001007114,0.001201134,0.0004897228],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.996888,0.001291033,0.0002818374,0.0001116101,0.0003148993,0.0001861381,0.00003927898,0.0001268389,0.0007603117],"genre_scores_gemma":[0.9970228,0.0001684491,0.001851202,0.000007267508,0.0001544155,0.00006021693,0.0002608534,0.00006365628,0.0004111099],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1649041,"threshold_uncertainty_score":0.9998545,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03377343368786833,"score_gpt":0.2337607115956461,"score_spread":0.1999872779077778,"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."}}