{"id":"W4409528937","doi":"10.1016/j.surfin.2025.106501","title":"Delving into the effect of ZnO nanoparticles on the chemistry and electronic properties of aminated graphene: Ab initio and experimental probing","year":2025,"lang":"en","type":"article","venue":"Surfaces and Interfaces","topic":"Graphene research and applications","field":"Materials Science","cited_by":7,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"National Research Council Canada; Ministry of Science and Higher Education of the Russian Federation; Russian Science Foundation; Ministry of Education and Science of the Russian Federation","keywords":"Graphene; Materials science; Ab initio; Nanoparticle; Electronic structure; Ab initio quantum chemistry methods; Nanotechnology; Computational chemistry; Physical chemistry; Chemical physics; Organic chemistry; Chemistry; Molecule","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002673918,0.0003234177,0.000193925,0.0001240754,0.0003659462,0.0003460832,0.0005790074,0.0004516239,0.001862535],"category_scores_gemma":[0.000579912,0.0001965416,0.0002504388,0.0001318822,0.0005180212,0.0006017184,0.0002487736,0.0006674812,0.0002165599],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003746309,"about_ca_system_score_gemma":0.0001864743,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00191668,"about_ca_topic_score_gemma":0.003295602,"domain_scores_codex":[0.9998416,0.00001372302,0.000004652229,0.00002611762,0.00008484507,0.00002910781],"domain_scores_gemma":[0.9998298,0.00009234274,0.00001590531,0.00003081318,0.00002393707,0.0000071785],"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":[0.0002823829,0.00011851,0.001830716,0.0004099425,0.00003615483,0.0001816394,0.000193332,0.005546242,0.9667954,0.0150201,0.0003673685,0.00921822],"study_design_scores_gemma":[0.00002750731,0.0001368337,0.00256695,0.00002110422,0.00002502949,0.000114963,0.0002675974,0.0352971,0.9545759,0.004093715,0.002848685,0.00002456098],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9785226,0.001204815,0.01099636,0.0006940137,0.0001322005,0.00002170565,0.000130995,0.00006262519,0.008234671],"genre_scores_gemma":[0.9945958,0.0005730903,0.004044314,0.00007302394,0.000008260752,0.000006957658,0.00004343102,0.00001679552,0.0006382444],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00191668,"threshold_uncertainty_score":0.006230772,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008239544019573296,"score_gpt":0.2512127270895566,"score_spread":0.2429731830699833,"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."}}