{"id":"W1996034645","doi":"10.1021/jp403835m","title":"Interaction of Titanium Oxide Nanostructures with Graphene and Functionalized Graphene Nanoribbons: A DFT Study","year":2013,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"Graphene research and applications","field":"Materials Science","cited_by":34,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Graphene; Graphene nanoribbons; Materials science; Anatase; Density functional theory; Nanoclusters; Chemisorption; Oxide; Rutile; Nanotechnology; Nanostructure; Physisorption; Substrate (aquarium); Photocatalysis; Adsorption; Chemical physics; Chemical engineering; Computational chemistry; Chemistry; Physical chemistry; Organic chemistry; Catalysis","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":[0.0002260978,0.0006967823,0.0008804016,0.0007781394,0.0007175194,0.0004904044,0.001298184,0.001216835,0.005536359],"category_scores_gemma":[0.0004425856,0.0004094923,0.0009973623,0.0004773704,0.0004560178,0.0004685605,0.0004112241,0.0004745963,0.0004044508],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00103799,"about_ca_system_score_gemma":0.0005579615,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01078644,"about_ca_topic_score_gemma":0.01111957,"domain_scores_codex":[0.9998485,0.00003079848,0.000005157117,0.00001263427,0.00004576234,0.00005720221],"domain_scores_gemma":[0.9997622,0.0001271177,0.00002199663,0.00002103323,0.00004423962,0.00002339045],"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":[0.0003902086,0.0004780305,0.004868879,0.0009913425,0.000298577,0.001600466,0.0002036961,0.9074816,0.03595733,0.03376578,0.002809783,0.01115423],"study_design_scores_gemma":[0.00004874595,0.0001047135,0.001282956,0.00002446467,0.00003626688,0.0000428151,0.00006229341,0.9930395,0.002975563,0.001910043,0.0004560107,0.00001660852],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9657105,0.0009024674,0.006254411,0.0004174316,0.00006834341,0.00004715482,0.0004936589,0.0001144978,0.02599151],"genre_scores_gemma":[0.9960096,0.0003115935,0.001797629,0.00008497743,0.00001428176,0.00004526083,0.0001936925,0.00001841148,0.00152467],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01078644,"threshold_uncertainty_score":0.0214473,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009839997908140705,"score_gpt":0.2603761574696227,"score_spread":0.250536159561482,"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."}}