Interfacial stability, electronic property, and surface reactivity of α-MoO3/γ-Al2O3 composites: DFT and DFT + U calculations

Interfacial stability, electronic property, and surface reactivity of α-MoO3/γ-Al2O3 composites: DFT and DFT + U calculations

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 153, October 2018, Pages 217-227

Mingyuan Yu, Wenwen Qu, Shengming Xu, Lu Wang, Bingguo Liu, Libo Zhang, Jinhui Peng,