{"id":"W3193768203","doi":"10.1016/j.apsusc.2021.151050","title":"Screening MXenes for novel anode material of lithium-ion batteries with high capacity and stability: A DFT calculation","year":2021,"lang":"en","type":"article","venue":"Applied Surface Science","topic":"MXene and MAX Phase Materials","field":"Materials Science","cited_by":106,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Calgary","funders":"","keywords":"MXenes; Anode; Density functional theory; Lithium (medication); Battery (electricity); Adsorption; Lithium-ion battery; Materials science; Ion; Diffusion; Chemical physics; Chemistry; Chemical engineering; Electrode; Computational chemistry; Nanotechnology; Thermodynamics; Physical chemistry; Organic chemistry; 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":[0.001305727,0.0001826522,0.000351697,0.00004637582,0.0003309758,0.0002700905,0.0002098674,0.00006184298,0.0001641146],"category_scores_gemma":[0.00008191031,0.0001511125,0.00002216779,0.000329717,0.0008909457,0.0004545357,0.0001829515,0.00003580618,0.000002190577],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003181569,"about_ca_system_score_gemma":0.0001906564,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002770477,"about_ca_topic_score_gemma":0.00006476183,"domain_scores_codex":[0.9981248,0.00003453084,0.0003464459,0.0006509881,0.0004568762,0.0003863604],"domain_scores_gemma":[0.9989357,0.0001045606,0.0001982652,0.0003754672,0.0002848079,0.0001011788],"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":[0.0002101362,0.00004513248,0.0002606375,0.0001280495,0.000003552538,6.265543e-7,0.0004591002,0.0002704457,0.9941974,0.00430281,0.00001416648,0.0001079288],"study_design_scores_gemma":[0.000598648,0.00007389029,0.001939593,0.00003198274,0.00002031737,0.000009011274,0.0002411087,0.0001320085,0.9960413,0.0004385658,0.0002755887,0.0001979989],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9770839,0.0000103107,0.02154705,0.0001331629,0.000305056,0.0003981804,0.0003061473,0.00005091626,0.0001652472],"genre_scores_gemma":[0.9115608,0.000002348503,0.08822553,0.0000827885,0.00004743463,0.00002789761,0.00001930599,0.00001345516,0.00002048167],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.06667848,"threshold_uncertainty_score":0.6162189,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03494051791378931,"score_gpt":0.2524840462496556,"score_spread":0.2175435283358663,"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."}}