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:

Gracia-Espino, Eduardo  ^[1];

• Search DOE PAGES for author "Gracia-Espino, Eduardo"
• Search DOE PAGES for ORCID "0000-0001-9239-0541"

Barzegar, Hamid Reza  ^[2];

• Search DOE PAGES for author "Barzegar, Hamid Reza"
• Search DOE PAGES for ORCID "0000-0002-1314-5407"

Zettl, Alex ^[3]

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+ Show Author Affiliations

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:

Wed Oct 10 00:00:00 EDT 2018

Research Org.:

Univ. of California, Berkeley, CA (United States)

Sponsoring Org.:

USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:

1476957

Alternate Identifier(s):

OSTI ID: 1480262

Grant/Contract Number:  

AC02-05-CH11231; AC02-05CH11231

Resource Type:

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