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1 article(s) from de Leeuw, Nora H

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, doi:10.3762/bjnano.15.116

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Figure 1: Top and side views of relaxed geometries, PDOS, and EBSs of (a) ψ-graphene, (b) ψ-graphone, and (c)...

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Figure 2: Relaxed 2 × 2 × 1 supercell’s top and side views, PDOS, and EBS of ψ-graphene (a) at 0% and (b) −14...

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Figure 3: Relaxed 2 × 2 × 1 supercell’s top and side views, PDOS, and EBS of ψ-graphone (a) at +1% and (b) at...

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Figure 4: Relaxed 2 × 2 × 1 supercell’s top and side views, PDOS, and EBS of ψ-graphane (a) at −17% and (b) +...

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Figure 5: Variation of (i) bandgap energy E_g and (ii) buckling height h of (a) ψ-graphene, (b) ψ-graphone, an...

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Published 20 Nov 2024

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