{"id":"W4393205968","doi":"10.1039/d3cp05360a","title":"Metal to semiconductor switching in the AgTe monolayer <i>via</i> decoration with alkali metal and alkaline earth metal atoms: a first-principles perspective","year":2024,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"2D Materials and Applications","field":"Materials Science","cited_by":71,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Saskatchewan","funders":"Iran National Science Foundation","keywords":"Alkaline earth metal; Alkali metal; Monolayer; Metal; Semiconductor; Materials science; Perspective (graphical); Inorganic chemistry; Chemical physics; Chemistry; Nanotechnology; Metallurgy; Optoelectronics; Organic chemistry; Geometry","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":[0.0001921278,0.000294113,0.0004660568,0.0001614984,0.000471206,0.000730489,0.0007642432,0.0007397097,0.001870535],"category_scores_gemma":[0.0002138914,0.0002457649,0.0005029624,0.0002191646,0.0004137864,0.0006033303,0.0003920648,0.0005159178,0.0002879984],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004635679,"about_ca_system_score_gemma":0.0004613798,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00140001,"about_ca_topic_score_gemma":0.002150662,"domain_scores_codex":[0.9999353,0.000009608814,0.00000204796,0.000006616631,0.0000268848,0.0000195294],"domain_scores_gemma":[0.9999616,0.00001574162,0.000004447391,0.000006626922,0.00000784353,0.0000037],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0002719605,0.000324185,0.002470938,0.002526811,0.0001618828,0.001964277,0.000429504,0.3311151,0.4603569,0.1613831,0.006217419,0.03277805],"study_design_scores_gemma":[0.00005935075,0.0002159916,0.001086138,0.00005115735,0.0000409013,0.0002251271,0.0001679037,0.927798,0.04502356,0.01758949,0.007706697,0.00003567359],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9013064,0.003137369,0.05114311,0.001235023,0.0002368679,0.0001017343,0.0004155691,0.0004105572,0.0420133],"genre_scores_gemma":[0.9742057,0.002135959,0.02035419,0.0002402501,0.00002261464,0.0001145901,0.0002745666,0.0000749985,0.002577094],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001870535,"threshold_uncertainty_score":0.006257594,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01895394047863795,"score_gpt":0.2637564130033477,"score_spread":0.2448024725247098,"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."}}