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Materials, volume 15, issue 12, pages 4084

Novel Van Der Waals Heterostructures Based on Borophene, Graphene-like GaN and ZnO for Nanoelectronics: A First Principles Study

Publication typeJournal Article
Publication date2022-06-08
Journal: Materials
Quartile SCImago
Q2
Quartile WOS
Q2
Impact factor3.4
ISSN19961944
PubMed ID:  35744141
General Materials Science
Abstract

At present, the combination of 2D materials of different types of conductivity in the form of van der Waals heterostructures is an effective approach to designing electronic devices with desired characteristics. In this paper, we design novel van der Waals heterostructures by combing buckled triangular borophene (tr-B) and graphene-like gallium nitride (GaN) monolayers, and tr-B and zinc oxide (ZnO) monolayers together. Using ab initio methods, we theoretically predict the structural, electronic, and electrically conductive properties of tr-B/GaN and tr-B/ZnO van der Waals heterostructures. It is shown that the proposed atomic configurations of tr-B/GaN and tr-B/ZnO heterostructures are energetically stable and are characterized by a gapless band structure in contrast to the semiconductor character of GaN and ZnO monolayers. We find the phenomenon of charge transfer from tr-B to GaN and ZnO monolayers, which predetermines the key role of borophene in the formation of the features of the electronic structure of tr-B/GaN and tr-B/ZnO van der Waals heterostructures. The results of the calculation of the current–voltage (I–V) curves reveal that tr-B/GaN and tr-B/ZnO van der Waals heterostructures are characterized by the phenomenon of current anisotropy: the current along the zigzag edge of the ZnO/GaN monolayers is five times greater than along the armchair edge of these monolayers. Moreover, the heterostructures show good stability of current to temperature change at small voltage. These findings demonstrate that r-B/GaN and tr-B/ZnO vdW heterostructures are promising candidates for creating the element base of nanoelectronic devices, in particular, a conducting channel in field-effect transistors.

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Slepchenkov M. M. et al. Novel Van Der Waals Heterostructures Based on Borophene, Graphene-like GaN and ZnO for Nanoelectronics: A First Principles Study // Materials. 2022. Vol. 15. No. 12. p. 4084.
GOST all authors (up to 50) Copy
Slepchenkov M. M., Kolosov D. A., Glukhova O. E. Novel Van Der Waals Heterostructures Based on Borophene, Graphene-like GaN and ZnO for Nanoelectronics: A First Principles Study // Materials. 2022. Vol. 15. No. 12. p. 4084.
RIS |
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RIS Copy
TY - JOUR
DO - 10.3390/ma15124084
UR - https://doi.org/10.3390%2Fma15124084
TI - Novel Van Der Waals Heterostructures Based on Borophene, Graphene-like GaN and ZnO for Nanoelectronics: A First Principles Study
T2 - Materials
AU - Kolosov, Dmitry A.
AU - Slepchenkov, Michael M.
AU - Glukhova, Olga E.
PY - 2022
DA - 2022/06/08 00:00:00
PB - Multidisciplinary Digital Publishing Institute (MDPI)
SP - 4084
IS - 12
VL - 15
PMID - 35744141
SN - 1996-1944
ER -
BibTex |
Cite this
BibTex Copy
@article{2022_Slepchenkov,
author = {Dmitry A. Kolosov and Michael M. Slepchenkov and Olga E. Glukhova},
title = {Novel Van Der Waals Heterostructures Based on Borophene, Graphene-like GaN and ZnO for Nanoelectronics: A First Principles Study},
journal = {Materials},
year = {2022},
volume = {15},
publisher = {Multidisciplinary Digital Publishing Institute (MDPI)},
month = {jun},
url = {https://doi.org/10.3390%2Fma15124084},
number = {12},
pages = {4084},
doi = {10.3390/ma15124084}
}
MLA
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MLA Copy
Slepchenkov, Michael M., et al. “Novel Van Der Waals Heterostructures Based on Borophene, Graphene-like GaN and ZnO for Nanoelectronics: A First Principles Study.” Materials, vol. 15, no. 12, Jun. 2022, p. 4084. https://doi.org/10.3390%2Fma15124084.
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