دورية أكاديمية

Bilayer C60 Polymer/h-BN Heterostructures: A DFT Study of Electronic and Optic Properties

التفاصيل البيبلوغرافية
العنوان: Bilayer C60 Polymer/h-BN Heterostructures: A DFT Study of Electronic and Optic Properties
المؤلفون: Leonid A. Chernozatonskii, Aleksey I. Kochaev
المصدر: Polymers, Vol 16, Iss 11, p 1580 (2024)
بيانات النشر: MDPI AG, 2024.
سنة النشر: 2024
المجموعة: LCC:Organic chemistry
مصطلحات موضوعية: fullerenes, bilayers, boron nitride, graphene, van der Waals heterostructures, DFT, Organic chemistry, QD241-441
الوصف: 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.
نوع الوثيقة: article
وصف الملف: electronic resource
اللغة: English
تدمد: 2073-4360
Relation: https://www.mdpi.com/2073-4360/16/11/1580; https://doaj.org/toc/2073-4360
DOI: 10.3390/polym16111580
URL الوصول: https://doaj.org/article/71edb7bd579d4df89e66030d2403687b
رقم الأكسشن: edsdoj.71edb7bd579d4df89e66030d2403687b
قاعدة البيانات: Directory of Open Access Journals
الوصف
تدمد:20734360
DOI:10.3390/polym16111580