{"id":"W2090329145","doi":"10.1016/j.carbon.2010.12.023","title":"A first-principles study of calcium-decorated, boron-doped graphene for high capacity hydrogen storage","year":2010,"lang":"en","type":"article","venue":"Carbon","topic":"Hydrogen Storage and Materials","field":"Materials Science","cited_by":231,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of British Columbia","funders":"Western Canada Research Grid; Compute Canada","keywords":"Graphene; Hydrogen storage; Materials science; Boron; Density functional theory; Doping; Chemical physics; Binding energy; Hydrogen; Molecule; Adsorption; Gravimetric analysis; Dipole; Inorganic chemistry; Nanotechnology; Computational chemistry; Atomic physics; Physical chemistry; Chemistry; Optoelectronics; Organic chemistry; Composite material; Physics","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":[0.0001623149,0.000272775,0.0003914646,0.0001512108,0.0005896602,0.0004987947,0.0005602409,0.0006871858,0.00170942],"category_scores_gemma":[0.0002059842,0.00019562,0.0002659588,0.0001825258,0.000365222,0.0003810406,0.0002478966,0.0004643708,0.0001171841],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004507824,"about_ca_system_score_gemma":0.0002678202,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001822638,"about_ca_topic_score_gemma":0.003611551,"domain_scores_codex":[0.9999231,0.000007312268,0.00000111765,0.000008184957,0.00003962887,0.00002076025],"domain_scores_gemma":[0.9999472,0.0000249355,0.000004644058,0.000007542523,0.000008127925,0.000007629242],"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":[0.0007254266,0.000433139,0.001240196,0.001991942,0.0001367553,0.001080541,0.0004971654,0.07707853,0.8280854,0.06466237,0.005389278,0.01867927],"study_design_scores_gemma":[0.0002336567,0.001033805,0.003397602,0.00008251453,0.00008663505,0.0002839695,0.0003496935,0.6179288,0.3602807,0.007190007,0.009032909,0.00009973848],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9816452,0.001303477,0.004482237,0.0006703025,0.0001343068,0.00004290028,0.0001351122,0.00007501875,0.01151137],"genre_scores_gemma":[0.9947103,0.000442427,0.003178815,0.00004794107,0.000009848062,0.00001453258,0.00004586189,0.00001191964,0.001538386],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001822638,"threshold_uncertainty_score":0.005718589,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03879887359420209,"score_gpt":0.2622652078234796,"score_spread":0.2234663342292775,"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."}}