{"id":"W7114989721","doi":"10.1016/j.ijhydene.2025.152960","title":"Theoretical approach to study hydrogen storage properties of MgH2 nanoclusters: Crucial role of hydrogen kinetics","year":2025,"lang":"en","type":"article","venue":"International Journal of Hydrogen Energy","topic":"Hydrogen Storage and Materials","field":"Materials Science","cited_by":8,"is_retracted":false,"has_abstract":false,"ca_institutions":"Queen's University","funders":"Fondation OCP; Centre National pour la Recherche Scientifique et Technique","keywords":"Hydrogen storage; Nanoclusters; Magnesium hydride; Dehydrogenation; Hydrogen; Hydride; Desorption; Density functional theory; Hydrogen fuel","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002117658,0.0004924769,0.0006976823,0.0006603508,0.0005879749,0.0004668438,0.001187248,0.0009262344,0.003345429],"category_scores_gemma":[0.000389973,0.0002152505,0.0007741621,0.0004145852,0.0005933546,0.0006000446,0.0004543755,0.0005596685,0.0003498991],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005297652,"about_ca_system_score_gemma":0.0004430989,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001963935,"about_ca_topic_score_gemma":0.00162541,"domain_scores_codex":[0.9999249,0.00001710382,0.000002596552,0.000009651935,0.00002763925,0.00001801366],"domain_scores_gemma":[0.9998916,0.00004750859,0.00001186234,0.00001734412,0.00002404502,0.000007522264],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00009187499,0.0001713517,0.0007989302,0.0005704624,0.00008660127,0.0006409637,0.0001931432,0.4173422,0.02721333,0.5407981,0.0019761,0.01011693],"study_design_scores_gemma":[0.00001699221,0.00002468276,0.0002506813,0.00001622955,0.00001330398,0.00005621562,0.00004384813,0.9615403,0.001264818,0.0357654,0.000999761,0.000007711039],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":"theoretical_or_conceptual","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.465387,0.004862789,0.3543245,0.003417894,0.0006608694,0.0002991959,0.0007801975,0.000397602,0.1698699],"genre_scores_gemma":[0.9612548,0.001430333,0.02511058,0.000441122,0.0001644888,0.0003003117,0.0001796141,0.0001010615,0.0110178],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003345429,"threshold_uncertainty_score":0.01119161,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0122221064333241,"score_gpt":0.2505311092702429,"score_spread":0.2383090028369188,"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."}}