{"id":"W2316652361","doi":"10.1021/jp909490v","title":"Theoretical Studies of Transition-Metal-Doped Single-Walled Carbon Nanotubes","year":2011,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"Carbon Nanotubes in Composites","field":"Materials Science","cited_by":37,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"","keywords":"Doping; Delocalized electron; Materials science; Carbon nanotube; Dopant; Metal; Atomic orbital; Transition metal; Density functional theory; Nanotechnology; Chemical physics; Condensed matter physics; Crystallography; Electron; Computational chemistry; Chemistry; Optoelectronics; Organic chemistry; Physics","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000372881,0.0004783043,0.0006379064,0.0008468707,0.0008419766,0.0004999159,0.001019596,0.0009146377,0.002503242],"category_scores_gemma":[0.001029314,0.0002921183,0.0006596373,0.0004666223,0.0007749296,0.0006088325,0.0003066457,0.0003096687,0.0002051539],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001180703,"about_ca_system_score_gemma":0.0007104987,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004160321,"about_ca_topic_score_gemma":0.003804062,"domain_scores_codex":[0.9998109,0.00003687665,0.000005543055,0.00001773331,0.00008557479,0.00004339334],"domain_scores_gemma":[0.9996492,0.0001991776,0.00002497114,0.0000263461,0.00007561754,0.00002465893],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0000548751,0.00007342218,0.001003383,0.0002688449,0.00003388646,0.0004037509,0.00007921466,0.8853164,0.007724992,0.1005386,0.0004204899,0.004082022],"study_design_scores_gemma":[0.000009949368,0.00001497271,0.0002597654,0.00001415618,0.00000554265,0.00002465782,0.00002482116,0.991711,0.001001296,0.006503873,0.0004242848,0.000005636064],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8912718,0.001974926,0.04279352,0.0007354814,0.0001158163,0.00008738794,0.0003410648,0.0001131379,0.06256683],"genre_scores_gemma":[0.9920729,0.0004362737,0.005380014,0.00005356528,0.0000175068,0.0000661255,0.0001074086,0.00002383742,0.001842347],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004160321,"threshold_uncertainty_score":0.008566678,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02679233272504957,"score_gpt":0.2604106640421384,"score_spread":0.2336183313170888,"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."}}