{"id":"W2019886160","doi":"10.1021/jp8110343","title":"Adsorption of Phosphonic Acid at the TiO<sub>2</sub> Anatase (101) and Rutile (110) Surfaces","year":2009,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"Iron oxide chemistry and applications","field":"Energy","cited_by":171,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"","keywords":"Adsorption; Rutile; Anatase; Denticity; Density functional theory; Materials science; Binding energy; Computational chemistry; Inorganic chemistry; Physical chemistry; Chemical physics; Crystallography; Chemistry; Crystal structure; Catalysis; Organic chemistry; Atomic physics; Photocatalysis; 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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002069289,0.0001361403,0.0001999902,0.000005590256,0.0001153834,0.00001452368,0.000297319,0.00005839403,0.00006244958],"category_scores_gemma":[0.00004252174,0.00008069575,0.000117727,0.0001409016,0.0002002044,0.0000759436,0.00005068874,0.0002861289,0.00001072193],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004939685,"about_ca_system_score_gemma":0.00003179445,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000006465672,"about_ca_topic_score_gemma":0.00000147041,"domain_scores_codex":[0.9992002,0.00003028119,0.0002737734,0.000100426,0.0002385987,0.0001567232],"domain_scores_gemma":[0.9990333,0.0001512607,0.000350386,0.000300968,0.00008454155,0.00007949865],"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":[0.00007921803,0.0001166144,0.000004293559,0.00002402198,0.00002588298,0.000001076493,0.0001493156,0.0008911616,0.9958999,0.0001600812,0.000958138,0.001690299],"study_design_scores_gemma":[0.0002962828,0.0000418274,0.0004439255,0.00002864234,0.00008703196,0.00005885967,0.0001251085,0.0002664069,0.9955508,0.002103378,0.0009090208,0.00008879365],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9971795,0.0005549798,0.000008454318,0.0007893512,0.0000104478,0.00003827363,0.00002026926,0.00000939074,0.001389309],"genre_scores_gemma":[0.9993261,0.0001620065,0.000008177884,0.00005740327,0.0002498023,0.000001570731,0.00001270333,0.000008339351,0.000173975],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002146497,"threshold_uncertainty_score":0.3290677,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006734352033083598,"score_gpt":0.2227826449461913,"score_spread":0.2160482929131078,"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."}}