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- Title
Bilayer C 60 Polymer/ h -BN Heterostructures: A DFT Study of Electronic and Optic Properties.
- Authors
Chernozatonskii, Leonid A.; Kochaev, Aleksey I.
- Abstract
Interest in fullerene-based polymer structures has renewed due to the development of synthesis technologies using thin C60 polymers. Fullerene networks are good semiconductors. In this paper, heterostructure complexes composed of C60 polymer networks on atomically thin dielectric substrates are modeled. Small tensile and compressive deformations make it possible to ensure appropriate placement of monolayer boron nitride with fullerene networks. The choice of a piezoelectric boron nitride substrate was dictated by interest in their applicability in mechanoelectric, photoelectronic, and electro-optical devices with the ability to control their properties. The results we obtained show that C60 polymer/h-BN heterostructures are stable compounds. The van der Waals interaction that arises between them affects their electronic and optical properties.
- Subjects
HETEROSTRUCTURES; ELECTROOPTICAL devices; POLYMER networks; SUBSTRATES (Materials science); BORON nitride; POLYMER structure; FULLERENE polymers
- Publication
Polymers (20734360), 2024, Vol 16, Issue 11, p1580
- ISSN
2073-4360
- Publication type
Article
- DOI
10.3390/polym16111580