{"id":"W2541860451","doi":"10.3390/ma10020147","title":"Band Gap Tuning in 2D Layered Materials by Angular Rotation","year":2017,"lang":"en","type":"article","venue":"Materials","topic":"2D Materials and Applications","field":"Materials Science","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"Instituto de Ingeniería, Universidad Nacional Autónoma de México; University of Texas at El Paso; Consejo Nacional de Ciencia y Tecnología","keywords":"CASTEP; Tungsten disulfide; Materials science; High-resolution transmission electron microscopy; Series (stratigraphy); Tungsten; Band gap; Rotation (mathematics); Molybdenum disulfide; Graphene; Honeycomb; Density functional theory; Selenide; Supercell; Electronic band structure; Electronic structure; Condensed matter physics; Computational chemistry; Composite material; Nanotechnology; Transmission electron microscopy; Geometry; Physics; Optoelectronics; Chemistry; Mathematics","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","scholarly_communication","insufficient_payload"],"consensus_categories":["insufficient_payload"],"category_scores_codex":[0.001225569,0.0002725916,0.000529087,0.00007404647,0.0005322067,0.001667254,0.0006999048,0.0001592137,0.006288719],"category_scores_gemma":[0.0001664313,0.0002550857,0.00003183415,0.00004784748,0.0001378619,0.0006145115,0.000181165,0.00004072857,0.0008647026],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000648439,"about_ca_system_score_gemma":0.00003756056,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001454526,"about_ca_topic_score_gemma":0.00005188547,"domain_scores_codex":[0.9978202,0.0001973675,0.0007033629,0.0005262295,0.0002500567,0.0005027904],"domain_scores_gemma":[0.9983214,0.0000368143,0.0005431304,0.0009369017,0.0000641451,0.00009758297],"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":[0.00005971886,0.00006417731,0.000113787,0.00005630037,0.000003802656,0.0000079018,0.0001488435,0.00000382608,0.9967574,0.001152879,0.001545315,0.00008608927],"study_design_scores_gemma":[0.0006777053,0.00003503368,0.004088931,0.00008047092,0.00001194976,0.00000602901,0.00005083931,0.0000023441,0.9901827,0.002006581,0.002554459,0.0003029644],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9954385,0.00004165183,0.0001391154,0.0004494194,0.00137395,0.0005798159,0.0007492143,0.0001151497,0.001113238],"genre_scores_gemma":[0.9977698,0.00003260592,0.0008193152,0.0001106133,0.0003333014,0.0002922434,0.0001635658,0.00004854595,0.0004299969],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006574666,"threshold_uncertainty_score":0.9999902,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02895557235963393,"score_gpt":0.2901651723548974,"score_spread":0.2612095999952635,"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."}}