Stacking effects in van der Waals heterostructures of blueP and Janus XYO (X = Ti, Zr, Hf: Y = S, Se) monolayers

作者：Qaisar Alam, M. Idrees, Shabbir Muhammad, Chuong V. Nguyen, Muhammad Shafiq, Y. Saeed, H. U. Din, B. Amin · 发表于：RSC Advances · 年份：2021 · DOI：10.1039/d0ra10827h · 被引用次数：14 · 研究领域：2D Materials and Applications、Quantum Dots Synthesis And Properties、Perovskite Materials and Applications

Using first-principles calculations, the geometry, electronic structure, optical and photocatalytic performance of blueP and XYO (X = Ti, Zr, Hf; Y = S, Se) monolayers and their corresponding van der Waal heterostructures in three possible stacking patterns, are investigated.