{"id":"W2769486962","doi":"10.1007/s12678-017-0436-0","title":"Chemisorbed Oxygen at Pt(111): a DFT Study of Structural and Electronic Surface Properties","year":2017,"lang":"en","type":"article","venue":"Electrocatalysis","topic":"Electrocatalysts for Energy Conversion","field":"Energy","cited_by":36,"is_retracted":false,"has_abstract":false,"ca_institutions":"Simon Fraser University","funders":"","keywords":"Work function; Oxygen; Density functional theory; Adsorption; Dipole; Chemical physics; Chemistry; Charge density; Materials science; Layer (electronics); Computational chemistry; Physical chemistry; Nanotechnology","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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0003536504,0.0004683242,0.0007376898,0.0001584086,0.0009568456,0.0001149502,0.000991786,0.0001627149,0.0001020921],"category_scores_gemma":[0.0001685849,0.000406109,0.000180887,0.0002975563,0.0002088993,0.000482774,0.0005136756,0.0003213722,0.00003264767],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004906369,"about_ca_system_score_gemma":0.0001428236,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.006462111,"about_ca_topic_score_gemma":0.01484719,"domain_scores_codex":[0.9969186,0.00009420676,0.0005108137,0.0008213788,0.0006926534,0.0009624002],"domain_scores_gemma":[0.9973747,0.00004225389,0.0005340807,0.00166285,0.0002345231,0.0001515572],"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":[0.000732497,0.000179367,0.01053807,0.00006254616,0.001208013,0.00001008264,0.001585675,0.0003103813,0.9820279,0.0006248291,0.0000994451,0.002621203],"study_design_scores_gemma":[0.00231716,0.001097642,0.007558567,0.00002108174,0.000564008,0.0000424145,0.0004010322,0.001347252,0.984695,0.0003605917,0.0009753384,0.0006198806],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9959653,0.001748929,0.000005465921,0.0001696174,0.00004734706,0.0003155655,0.000001122394,0.0001278387,0.001618812],"genre_scores_gemma":[0.995892,0.0001178301,0.00003187075,0.00002441532,0.00006986385,0.00003182299,0.00004952761,0.00007882592,0.003703814],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008385075,"threshold_uncertainty_score":0.9998391,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01004774388882699,"score_gpt":0.2239607133981535,"score_spread":0.2139129695093266,"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."}}