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

作者：Ming-Yuan Yu, Wenwen Qu, Shengming Xu, Lu Wang, Bingguo Liu, Libo Zhang, Jinhui Peng · 发表于：Computational Materials Science · 年份：2018 · DOI：10.1016/j.commatsci.2018.06.046 · 被引用次数：18 · 研究领域：Catalysis and Hydrodesulfurization Studies、Catalytic Processes in Materials Science、Transition Metal Oxide Nanomaterials