First-Principles Modelling of the Properties of Graphene Modified with Fluorine Atoms

The results of modeling the properties of graphene modified with fluorine atoms are presented. The creation of modern semiconductor devices requires the introduction of new materials. Graphene is one of them that is of interest to researchers. The addition of fluorine, hydrogen, and other chemical e...

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Main Author: V. N. Mishchanka
Format: Article
Language:Russian
Published: Educational institution «Belarusian State University of Informatics and Radioelectronics» 2023-08-01
Series:Doklady Belorusskogo gosudarstvennogo universiteta informatiki i radioèlektroniki
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Online Access:https://doklady.bsuir.by/jour/article/view/3684
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author V. N. Mishchanka
author_facet V. N. Mishchanka
author_sort V. N. Mishchanka
collection DOAJ
description The results of modeling the properties of graphene modified with fluorine atoms are presented. The creation of modern semiconductor devices requires the introduction of new materials. Graphene is one of them that is of interest to researchers. The addition of fluorine, hydrogen, and other chemical elements to graphene makes it possible to create its modifications. On this basis, it is possible to develop semiconductor devices and devices with improved output characteristics. The basic characteristics of graphene modification with the use of fluorine atoms, namely, the band diagram, the dependences of the density of state (DOS parameter) of electrons and holes on the energy value, were obtained by first-principles modeling. The dependences of charge carrier mobility on temperature are determined for the iterative solution of the Boltzmann transport equation The dependences and parameters obtained for fluorinated graphene can serve as a basis for creating new heterostructural devices containing layers of modified graphene and other semiconductor materials.
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publishDate 2023-08-01
publisher Educational institution «Belarusian State University of Informatics and Radioelectronics»
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series Doklady Belorusskogo gosudarstvennogo universiteta informatiki i radioèlektroniki
spelling doaj-art-9b5a8d341fc14d35a3e884577bd34b012025-08-04T17:38:22ZrusEducational institution «Belarusian State University of Informatics and Radioelectronics»Doklady Belorusskogo gosudarstvennogo universiteta informatiki i radioèlektroniki1729-76482023-08-01214717510.35596/1729-7648-2023-21-4-71-751923First-Principles Modelling of the Properties of Graphene Modified with Fluorine AtomsV. N. Mishchanka0Belarusian State University of Informatics and RadioelectronicsThe results of modeling the properties of graphene modified with fluorine atoms are presented. The creation of modern semiconductor devices requires the introduction of new materials. Graphene is one of them that is of interest to researchers. The addition of fluorine, hydrogen, and other chemical elements to graphene makes it possible to create its modifications. On this basis, it is possible to develop semiconductor devices and devices with improved output characteristics. The basic characteristics of graphene modification with the use of fluorine atoms, namely, the band diagram, the dependences of the density of state (DOS parameter) of electrons and holes on the energy value, were obtained by first-principles modeling. The dependences of charge carrier mobility on temperature are determined for the iterative solution of the Boltzmann transport equation The dependences and parameters obtained for fluorinated graphene can serve as a basis for creating new heterostructural devices containing layers of modified graphene and other semiconductor materials.https://doklady.bsuir.by/jour/article/view/3684graphenefluorinemodelingzone diagramsemiconductor structure
spellingShingle V. N. Mishchanka
First-Principles Modelling of the Properties of Graphene Modified with Fluorine Atoms
Doklady Belorusskogo gosudarstvennogo universiteta informatiki i radioèlektroniki
graphene
fluorine
modeling
zone diagram
semiconductor structure
title First-Principles Modelling of the Properties of Graphene Modified with Fluorine Atoms
title_full First-Principles Modelling of the Properties of Graphene Modified with Fluorine Atoms
title_fullStr First-Principles Modelling of the Properties of Graphene Modified with Fluorine Atoms
title_full_unstemmed First-Principles Modelling of the Properties of Graphene Modified with Fluorine Atoms
title_short First-Principles Modelling of the Properties of Graphene Modified with Fluorine Atoms
title_sort first principles modelling of the properties of graphene modified with fluorine atoms
topic graphene
fluorine
modeling
zone diagram
semiconductor structure
url https://doklady.bsuir.by/jour/article/view/3684
work_keys_str_mv AT vnmishchanka firstprinciplesmodellingofthepropertiesofgraphenemodifiedwithfluorineatoms