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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Spin-Unrestricted Calculations of Bare-Edged Nanographenes Using DFT and Many-Body Perturbation Theory

Rodolphe Pollet1, Hakim Amara1

  • 1DSM/IRAMIS/SPAM-LFP, CEA, Gif-sur-Yvette, France, and Laboratoire d'Etude des Microstructures, ONERA-CNRS, Châtillon, France.

Journal of Chemical Theory and Computation
|November 27, 2015
PubMed

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