{"id":"W2082026322","doi":"10.1063/1.4882197","title":"A van der Waals density functional theory comparison of metal decorated graphene systems for hydrogen adsorption","year":2014,"lang":"en","type":"article","venue":"Journal of Applied Physics","topic":"Hydrogen Storage and Materials","field":"Materials Science","cited_by":52,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"Compute Canada; U.S. Department of Energy","keywords":"Binding energy; van der Waals force; Graphene; Density functional theory; Hydrogen; Gravimetric analysis; Adsorption; Metal; Chemical physics; Materials science; Hydrogen storage; Transition metal; Chemistry; Inorganic chemistry; Physical chemistry; Computational chemistry; Atomic physics; Nanotechnology; Molecule; Catalysis; Metallurgy; Physics; Organic chemistry","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0003144428,0.0005215212,0.0005498842,0.0007712995,0.0005560876,0.0004932856,0.0008847999,0.0008472565,0.002699492],"category_scores_gemma":[0.0005822254,0.0001849205,0.0006545213,0.0008706901,0.0002690412,0.000450216,0.0003474399,0.0004309431,0.0002763291],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007061293,"about_ca_system_score_gemma":0.0004473698,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004261849,"about_ca_topic_score_gemma":0.005191402,"domain_scores_codex":[0.9998527,0.00003318634,0.0000066716,0.00001052916,0.00006755811,0.00002936775],"domain_scores_gemma":[0.9997985,0.00009673055,0.000008272781,0.00002547532,0.00005817279,0.00001298604],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0004273827,0.0003565768,0.002897779,0.001602004,0.0003101194,0.000815498,0.0002829378,0.7901159,0.06662372,0.09690615,0.004430164,0.03523178],"study_design_scores_gemma":[0.0000179482,0.00009963387,0.001276318,0.00002535758,0.00002176188,0.00004624144,0.00007168034,0.9837804,0.007116558,0.005829497,0.001688945,0.00002567233],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9085588,0.004864154,0.03738317,0.0007208454,0.0002402623,0.0001227931,0.001753725,0.0003069768,0.04604929],"genre_scores_gemma":[0.9834529,0.001285963,0.01170192,0.00009189684,0.00002249288,0.0001638992,0.000955044,0.00004371989,0.002282129],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004261849,"threshold_uncertainty_score":0.0090307,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02629721110158266,"score_gpt":0.2614679248408467,"score_spread":0.2351707137392641,"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."}}