Density Functional Theory Evaluation of Cation-doped Bismuth Molybdenum Oxide Photocatalysts for Nitrogen Fixation

Alhassan S. Yasin, Botong Liu, Nianqiang Wu +1

This study investigates the photocatalytic nitrogen fixation on a cation-doped surface (Bi${}_x$M${}_y$)${}_2$MoO${}_6$ where (M = Fe, La, Yb) in both the orthorhombic and monoclinic c…