Supporting Information
We have given relaxed structures, PDOS, and EBS plots of ψ-graphene, ψ-graphone, and ψ-graphane in the Supporting Information. We have also given variations of average bond lengths and d1 bond lengths with applied uniform biaxial mechanical strain in these three materials.
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Cite the Following Article
Strain-induced bandgap engineering in 2D ψ-graphene materials: a first-principles study
Kamal Kumar, Nora H. de Leeuw, Jost Adam and Abhishek Kumar Mishra
Beilstein J. Nanotechnol. 2024, 15, 1440–1452.
https://doi.org/10.3762/bjnano.15.116
How to Cite
Kumar, K.; de Leeuw, N. H.; Adam, J.; Mishra, A. K. Beilstein J. Nanotechnol. 2024, 15, 1440–1452. doi:10.3762/bjnano.15.116
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