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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Doubly hybrid density functional xDH-PBE0 from a parameter-free global hybrid model PBE0

Igor Ying Zhang1, Neil Qiang Su, Éric A G Brémond

  • 1State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China.

The Journal of Chemical Physics
|May 16, 2012
PubMed

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