Extending Hirshfeld-I to bulk and periodic materials

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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

Danny E P Vanpoucke1, Patrick Bultinck, Isabel Van Driessche

  • 1SCRiPTS Group, Department of Inorganic and Physical Chemistry, Ghent University, Krijgslaan 281-S3, Gent 9000, Belgium. danny.vanpoucke@ugent.be

Journal of Computational Chemistry
|August 29, 2012
PubMed

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