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Title: Coronene-Based Graphene Nanoribbons Insulated by Boron Nitride Nanotubes: Electronic Properties of the Hybrid Structure

Abstract

Here, we present a theoretical study on the formation of graphene nanoribbons—via polymerization of coronene molecules—inside the inner cavity of boron nitride nanotubes. We examine the electronic property of the hybrid system, and we show that the boron nitride nanotube does not significantly alter the electronic properties of the encapsulated graphene nanoribbon. Motivated by previous experimental works, we examine graphene nanoribbons with two different widths and investigate probable scenarios for defect formation and/or twisting of the resulting graphene nanoribbons and their effect on the electronic properties of the hybrid system.

Authors:
ORCiD logo [1]; ORCiD logo [2];  [3]
  1. Department of Physics, Umea University, 90187 Umea, Sweden
  2. Department of Physics, Umea University, 90187 Umea, Sweden, Department of Physics, University of California, Berkeley, California 94720, United States
  3. Department of Physics, University of California, Berkeley, California 94720, United States, Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States, Kavli Energy Nano Sciences Institute, The University of California, Berkeley and the Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States
Publication Date:
Research Org.:
Univ. of California, Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1476957
Alternate Identifier(s):
OSTI ID: 1480262
Grant/Contract Number:  
AC02-05-CH11231; AC02-05CH11231
Resource Type:
Journal Article: Published Article
Journal Name:
ACS Omega
Additional Journal Information:
Journal Name: ACS Omega Journal Volume: 3 Journal Issue: 10; Journal ID: ISSN 2470-1343
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Electric transport processes and properties; Molecular structure; Nanoclusters; Nanocomposites; Nanostructures; Physical and chemical processes; Quantum mechanical methods; Solid state electrochemistry; Theory

Citation Formats

Gracia-Espino, Eduardo, Barzegar, Hamid Reza, and Zettl, Alex. Coronene-Based Graphene Nanoribbons Insulated by Boron Nitride Nanotubes: Electronic Properties of the Hybrid Structure. United States: N. p., 2018. Web. doi:10.1021/acsomega.8b01617.
Gracia-Espino, Eduardo, Barzegar, Hamid Reza, & Zettl, Alex. Coronene-Based Graphene Nanoribbons Insulated by Boron Nitride Nanotubes: Electronic Properties of the Hybrid Structure. United States. https://doi.org/10.1021/acsomega.8b01617
Gracia-Espino, Eduardo, Barzegar, Hamid Reza, and Zettl, Alex. Wed . "Coronene-Based Graphene Nanoribbons Insulated by Boron Nitride Nanotubes: Electronic Properties of the Hybrid Structure". United States. https://doi.org/10.1021/acsomega.8b01617.
@article{osti_1476957,
title = {Coronene-Based Graphene Nanoribbons Insulated by Boron Nitride Nanotubes: Electronic Properties of the Hybrid Structure},
author = {Gracia-Espino, Eduardo and Barzegar, Hamid Reza and Zettl, Alex},
abstractNote = {Here, we present a theoretical study on the formation of graphene nanoribbons—via polymerization of coronene molecules—inside the inner cavity of boron nitride nanotubes. We examine the electronic property of the hybrid system, and we show that the boron nitride nanotube does not significantly alter the electronic properties of the encapsulated graphene nanoribbon. Motivated by previous experimental works, we examine graphene nanoribbons with two different widths and investigate probable scenarios for defect formation and/or twisting of the resulting graphene nanoribbons and their effect on the electronic properties of the hybrid system.},
doi = {10.1021/acsomega.8b01617},
url = {https://www.osti.gov/biblio/1476957}, journal = {ACS Omega},
issn = {2470-1343},
number = 10,
volume = 3,
place = {United States},
year = {2018},
month = {10}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at https://doi.org/10.1021/acsomega.8b01617

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