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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Correcting Delocalization Error in Materials with Localized Orbitals and Linear-Response Screening

Jacob Z Williams1, Weitao Yang2

  • 1Department of Chemistry, Duke University, Durham, NC 27708, USA.

Physical Review. B
|May 21, 2026
PubMed

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