{"id":"W2981543718","doi":"10.1021/acsami.9b16326","title":"Interface Properties of the Partially Oxidized Pt(111) Surface Using Hybrid DFT–Solvation Models","year":2019,"lang":"en","type":"article","venue":"ACS Applied Materials & Interfaces","topic":"Catalytic Processes in Materials Science","field":"Materials Science","cited_by":19,"is_retracted":false,"has_abstract":true,"ca_institutions":"Simon Fraser University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Materials science; Solvation; Interface (matter); Surface (topology); Chemical physics; Nanotechnology; Molecule; Composite material; Organic chemistry; Wetting","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":[0.0002476554,0.0006964746,0.0007956671,0.000527715,0.0004444835,0.000749193,0.001256705,0.001285632,0.002735131],"category_scores_gemma":[0.0005469011,0.0002571062,0.0007699251,0.0005057074,0.0004857878,0.0007114324,0.0006243114,0.0005356156,0.0003400969],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008144245,"about_ca_system_score_gemma":0.0008524618,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.006420137,"about_ca_topic_score_gemma":0.00437993,"domain_scores_codex":[0.9998864,0.00003230917,0.000004861542,0.00001371238,0.00003690076,0.00002575086],"domain_scores_gemma":[0.999811,0.00009757787,0.00001435429,0.00002562926,0.00003510208,0.00001636729],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00006012763,0.00004113968,0.0004648619,0.00008956053,0.00002493135,0.0001505998,0.00004393703,0.9822316,0.004280098,0.009961614,0.0003818184,0.00226982],"study_design_scores_gemma":[0.000007944665,0.000009521241,0.00007790329,0.000002544615,0.00000242958,0.000006574454,0.000006904532,0.9986103,0.0002879173,0.0008849477,0.0001003726,0.000002732211],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7694051,0.0007809957,0.1862202,0.0008786784,0.0001054717,0.0001666595,0.001565575,0.0006333758,0.04024392],"genre_scores_gemma":[0.9769885,0.0003084478,0.01779329,0.000149544,0.00003397246,0.0002380167,0.0006974238,0.0001039695,0.003686765],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006420137,"threshold_uncertainty_score":0.01276553,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0281100147060252,"score_gpt":0.2403085605440493,"score_spread":0.2121985458380241,"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."}}