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Facet- and thickness-dependent band-edge alignment at ZrSe\texorpdfstring{$_3$}{3} surfaces: hybrid-functional calculations with spin-orbit coupling
Transition-metal trichalcogenides MX$_3$ are quasi-one-dimensional van der Waals materials whose layers form through lateral chain binding, giving them an interlayer cleavage plane and in-plane electronic anisotropy. Among them, ZrSe$_3$ is stable under ambient conditions and semiconducting. Exfolia
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