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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Screening the Band Shape of Molecules by Optimal Tuning of Range-Separated Hybrid Functional with TD-DFT: A Molecular

Jagrity Chaudhary1, Aarzoo1, Ritaban Roy1

  • 1Department of Chemistry, Birla Institute of Technology and Science, Pilani 333031, Rajasthan, India.

The Journal of Physical Chemistry. A
|August 8, 2022
PubMed

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