2D semiconducting -N=N- and -N=CH-linked 1,5-dioxocine: DFT study of the polymer bulks, bilayers, and single layers
DFT study on the structural and electronic properties of the 2D π-conjugated poly -N=N- and -N=CH-linked 1,5-dioxocine and the planar van der Waals AA- and AB-stacked bulks and bilayers thereof is presented. According to electronic structure calculations with Heyd–Scuseria–Ernzerhof 06 (HSE06) densi...
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-01-01
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| Series: | Next Materials |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2949822824003630 |
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