{"id":"W3201423814","doi":"10.1002/adfm.202106349","title":"Molecular Engineering to Tune the Ligand Environment of Atomically Dispersed Nickel for Efficient Alcohol Electrochemical Oxidation","year":2021,"lang":"en","type":"article","venue":"Advanced Functional Materials","topic":"Electrocatalysts for Energy Conversion","field":"Energy","cited_by":50,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University; Canadian Light Source (Canada)","funders":"Canadian Institutes of Health Research; Horizon 2020 Framework Programme; Universitat Autònoma de Barcelona; Ministerio de Ciencia Tecnología y Telecomunicaciones; Ministerio de Asuntos Económicos y Transformación Digital, Gobierno de España; Institució Catalana de Recerca i Estudis Avançats; Ministerio de Ciencia e Innovación; Generalitat de Catalunya; European Regional Development Fund; European Commission; China Scholarship Council; Institut Català de Nanociència i Nanotecnologia; Centres de Recerca de Catalunya; University of Saskatchewan; Natural Sciences and Engineering Research Council of Canada; Canadian Light Source; Alexander von Humboldt-Stiftung","keywords":"Catalysis; Materials science; Nickel; Methanol; Electrochemistry; Ligand (biochemistry); Alcohol oxidation; Electrocatalyst; Molecule; Alcohol; Carbon nanotube; Adsorption; Benzyl alcohol; Chemical engineering; Metal; Nanotechnology; Organic chemistry; Chemistry; Electrode; Physical chemistry; Metallurgy","routes":{"ca_aff":true,"ca_fund":true,"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":[0.00007305881,0.0001934056,0.0001332857,0.0001060901,0.0001181827,0.0002590308,0.0003153677,0.0001957249,0.000690711],"category_scores_gemma":[0.0001318903,0.0001586285,0.00008188808,0.00009547635,0.0001847904,0.0002006254,0.0001943795,0.0002645502,0.0001723944],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003465195,"about_ca_system_score_gemma":0.0001541717,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005586889,"about_ca_topic_score_gemma":0.001549015,"domain_scores_codex":[0.9999467,0.00000585573,0.000004171712,0.00001181237,0.00002099719,0.00001041717],"domain_scores_gemma":[0.9999636,0.000006027371,0.00001273433,0.000004802205,0.000006375906,0.000006434621],"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":[0.00003434203,0.00003845245,0.0001507852,0.0000470691,0.000007251232,0.00003502034,0.00001744358,0.0006232337,0.9960692,0.0008369572,0.00005188594,0.002088376],"study_design_scores_gemma":[0.00002729558,0.0001212023,0.0005040241,0.000003291946,0.00001065871,0.00004998049,0.00002141642,0.006308346,0.9902984,0.000104048,0.002544148,0.00000722692],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9882056,0.0004137404,0.008078576,0.0001313893,0.00002338801,0.00003313045,0.00004690576,0.0001117451,0.002955566],"genre_scores_gemma":[0.9929855,0.0001980951,0.005943665,0.00002181114,0.000004694059,0.00001719068,0.00002670683,0.00001327152,0.0007889952],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.000690711,"threshold_uncertainty_score":0.002514243,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005486535672744328,"score_gpt":0.1984161039228293,"score_spread":0.1929295682500849,"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."}}