2026-10-10T16:03:19Z https://www.scidb.cn/oai

10.57760/sciencedb.j00124.00249 2025-07-25T09:13:42Z

2025-07-25 calculation models, original data, and data processed by Origin in paper "Structure-activity relationships of Ag and Zn doped Cu/MOR and catalytic performance for the activation of methane C-H bond" published in "Journal of Fuel Chemistry and Technology" doi:10.57760/sciencedb.j00124.00249 en The dataset consists of five components:(1) models and data with Cu₂MO₃/MOR structure（M = Cu、Ag、Zn、Fe、Ni、Mn、Mo、Co、Ti、V、Ce）(2) models and data with CuM₂O₃/MOR structure（M = Cu、Ag、Zn、Fe、Ni、Mn、Mo、Co、Ti、V、Ce）(3) models and data with M-O-M/MOR structure（M = Cu、Ag、Zn、Fe、Ni、Mn、Mo、Co、Ti、V、Ce）(4) models and data with M₃O₃/MOR structure（M = Cu、Ag、Zn、Fe、Ni、Mn、Mo、Co、Ti、V、Ce）(5) Origin-processed data Density functional theory; Cu3O3; CuOCu; PDOS Yan Zhifeng RESTRICTED dataset Science Data Bank