{"id":"W4323043977","doi":"10.1002/admi.202202320","title":"Polarity‐Driven Atomic Displacements at the 2D Mg<sub>2</sub>TiO<sub>4</sub>‐MgO (001) Oxide Interface for Hosting Potential Interlayer Excitons","year":2023,"lang":"en","type":"article","venue":"Advanced Materials Interfaces","topic":"2D Materials and Applications","field":"Materials Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"Argonne National Laboratory; U.S. Department of Energy; Office of Science; National Science Foundation","keywords":"Exciton; Materials science; Heterojunction; van der Waals force; Condensed matter physics; Density functional theory; Oxide; Biexciton; Chemical physics; Molecular physics; Optoelectronics; Computational chemistry; Chemistry; Physics; Molecule","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","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.00108386,0.0007491393,0.0008460341,0.0001941393,0.001057053,0.0007710914,0.001433381,0.0002516569,0.0003719592],"category_scores_gemma":[0.0003337791,0.0006088572,0.0001785912,0.0003408577,0.0004177724,0.0007874038,0.001740191,0.0001927853,0.002720936],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003156239,"about_ca_system_score_gemma":0.00007490436,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00009548166,"about_ca_topic_score_gemma":0.0002510838,"domain_scores_codex":[0.9952379,0.0002955778,0.001333266,0.00132181,0.0005024131,0.00130898],"domain_scores_gemma":[0.9970351,0.0004068329,0.00101581,0.001096905,0.0002347504,0.0002106031],"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":[0.0005479804,0.00009992832,0.00002186033,0.0001837957,0.00007131827,0.000006211748,0.0003310968,0.000756933,0.9943516,0.0002090498,0.002448406,0.0009718206],"study_design_scores_gemma":[0.001252032,0.000168766,0.0005868095,0.0003024164,0.0001190696,0.00002978587,0.0004342346,0.0001720927,0.9931633,0.001420366,0.001651929,0.0006991577],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9876659,0.000127697,0.002556606,0.0008328384,0.004018,0.002001562,0.002052036,0.0007023079,0.00004303902],"genre_scores_gemma":[0.9961696,0.0002550416,0.0008092829,0.0002229408,0.0004031784,0.00127424,0.0003793565,0.0001801544,0.0003062103],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008503683,"threshold_uncertainty_score":0.9996363,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01363854876395297,"score_gpt":0.2800034359376574,"score_spread":0.2663648871737044,"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."}}