2026-10-14T17:19:16Z https://www.scidb.cn/oai

10.57760/sciencedb.j00124.000hj 2026-09-17T11:22:45Z

2026-09-17 Dataset of Theoretical Calculation for CO-SCR Denitrification over Ir-Fe Diatomic Catalyst Supported on Nitrogen-Doped Graphene doi:10.57760/sciencedb.j00124.000hj en DFT calculations were performed with Materials Studio. The resulting data were processed in Origin for energy barrier plots. Figures exported from Materials Studio and Origin were assembled via Photoshop and PPT. Besides, images generated by CatMAP were compiled in Photoshop. Ir-Fe diatomic catalyst; CO-SCR; density functional theory; denitrification; nitrogen-doped graphene lian yu RESTRICTED dataset Science Data Bank