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Updated: Mar 21, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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New range-separated screened and full-range hybrid functionals

Sankha Ghosh1, Amr Oshi1, Dennis R Salahub1

  • 1Department of Chemistry, Department of Physics and Astronomy, CMS-Center for Molecular Simulation, IQST-Institute for Quantum Science and Technology, Quantum Alberta, University of Calgary, 2500 University Drive NW, Calgary, Alberta T2N 1N4, Canada.

The Journal of Chemical Physics
|March 20, 2026
PubMed
Abstract

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