المؤلفون: Mengnan Sun, Xiaowa Nie, Xinwei Zhang, Sirui Liu, Chunshan Song, Xinwen Guo

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Neuroscience, Physiology, Biotechnology, Sociology, Inorganic Chemistry, Mental Health, Infectious Diseases, Plant Biology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, optimal energy pathways, dehydrogenation step involved, calculation results showed, brønsted acid site, 5 could promote, second metal component, catalyst screening zsm, 2 , 5 zeolite modified, modified zsm, promising catalysts, promising candidates, mda reaction, mda )

Relation: https://figshare.com/articles/journal_contribution/Computational_Insight_into_Methane_Methanol_Coupling_and_Aromatization_over_Metal-Modified_ZSM-5_From_Mechanism_to_Catalyst_Screening/24778824

الاتاحة: https://doi.org/10.1021/cbe.3c00021.s001
https://figshare.com/articles/journal_contribution/Computational_Insight_into_Methane_Methanol_Coupling_and_Aromatization_over_Metal-Modified_ZSM-5_From_Mechanism_to_Catalyst_Screening/24778824

المؤلفون: Xiaofei Wei, Chuanhai Jiang, Huakai Xu, Yuguo Ouyang, Zhifei Wang, Chunyu Lu, Xiaoqing Lu, Jiandong Pang, Fangna Dai, Xianhe Bu

مصطلحات موضوعية: Biophysics, Medicine, Molecular Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, provide theoretical guidance, oxygen reduction reaction, density functional theory, cobalt atoms act, calculation results showed, organic ligand characteristics, cobalt nodes modified, organic ligand regulation, electrocatalytic orr activity, organic ligands, synergistic regulation, metal nodes, electrocatalytic performance, synergistic effect, performance electrocatalysts, orr remains, orr process, moderate interaction, low overpotential, key intermediates, great challenge, formation energy, electronic structure, effective electrocatalysts

Relation: https://figshare.com/articles/journal_contribution/Synergistic_Effect_of_Organic_Ligands_on_Metal_Site_Spin_States_in_2D_Metal_Organic_Frameworks_for_Enhanced_ORR_Performance/24599057

الاتاحة: https://doi.org/10.1021/acscatal.3c04100.s001
https://figshare.com/articles/journal_contribution/Synergistic_Effect_of_Organic_Ligands_on_Metal_Site_Spin_States_in_2D_Metal_Organic_Frameworks_for_Enhanced_ORR_Performance/24599057