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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Nonlocal van der Waals Approach Merged with Double-Hybrid Density Functionals: Toward the Accurate Treatment of

Juan Aragó1, Enrique Ortí1, Juan C Sancho-García2,3

  • 1Instituto de Ciencia Molecular, Universidad de Valencia , E-46980, Spain.

Journal of Chemical Theory and Computation
|November 20, 2015
PubMed

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