Curvature-controlled band alignment transition in 1D van der Waals heterostructures

Abstract The effect of curvature on the band alignment of one-dimensional (1D) van der Waals (vdW) transition metal dichalcogenide (TMDC) heterostructures is studied by comprehensive first-principles calculations. We find that, as the diameter of a TMDC nanotube decreases, the combined effect of cur...

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Bibliographic Details
Published in:npj Computational Materials
Main Authors: Shu Zhao, Chunxia Yang, Ziye Zhu, Xiaoping Yao, Wenbin Li
Format: Article
Language:English
Published: Nature Portfolio 2023-05-01
Online Access:https://doi.org/10.1038/s41524-023-01052-1