Systematic DFT Modeling van der Waals Heterostructures from a Complete Configurational Basis Applied to γ-PC/WS2

Description

See the paper:   https://doi.org/10.1021/acs.jctc.3c00932

Resources

Name Format Description Link
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-8304785
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-8304785

Tags

  • strain
  • density-functional-theory
  • van-der-waals-heterostructures
  • twist-angle
  • interface
  • atomistic-models

Topics

Categories