Carbon, volume 147, pages 377-384

Nanoporous graphene: A 2D semiconductor with anisotropic mechanical, optical and thermal conduction properties

Madjet Mohamed El-Amine 3
Shahrokhi Masoud 4
Ahzi Said 3
Zhuang Xiaoying 5
Rabczuk Timon 6
1
 
Cluster of Excellence PhoenixD (Photonics, Optics, and Engineering–Innovation Across Disciplines), Leibniz Universität Hannover, Hannover, Germany
2
 
Institute of Structural Mechanics, Bauhaus-Universität Weimar, Marienstr. 15, D-99423, Weimar, Germany
5
 
Cluster of Excellence PhoenixD (Photonics, Optics, and Engineering—Innovation Across Disciplines), Leibniz Universitat Hannover, Hannover, Germany
Publication typeJournal Article
Publication date2019-06-01
Journal: Carbon
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor10.9
ISSN00086223
General Chemistry
General Materials Science
Abstract
Nanoporous graphene (NPG), consisting of ordered arrays of nanopores separated by graphene nanoribbons was recently realized using a bottom-up synthesis method (Science 360(2018), 199). In this work we accordingly explored the mechanical response, thermal conductivity and electronic/optical properties of single-layer NPG using the density functional theory and molecular dynamics simulations. Along the armchair direction, NPG was found to exhibit higher tensile strength and thermal conductivity by factors of 1.6 and 2.3, respectively, in comparison with the zigzag direction. Despite of showing high rigidity and tensile strength, NPG was predicted to show around two orders of magnitude suppressed thermal conductivity than graphene. Results based on GGA/PBE highlight that NPG monolayer presents semiconducting electronic character with a direct band-gap of 0.68 eV. According to the HSE06 estimation, NPG monolayer shows a band-gap of 0.88 eV, very promising for the application in nanoelectronics. Optical results reveal that NPG nanomembranes can absorb the visible, IR and NIR light. This work highlights the outstanding physics of NPG, as a novel porous carbon based two-dimensional material, which may serve as a promising candidate to design advanced nanoelectronics, nanooptics and energy conversion systems.

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Mortazavi B. et al. Nanoporous graphene: A 2D semiconductor with anisotropic mechanical, optical and thermal conduction properties // Carbon. 2019. Vol. 147. pp. 377-384.
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Mortazavi B., Madjet M. E., Shahrokhi M., Ahzi S., Zhuang X., Rabczuk T. Nanoporous graphene: A 2D semiconductor with anisotropic mechanical, optical and thermal conduction properties // Carbon. 2019. Vol. 147. pp. 377-384.
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TY - JOUR
DO - 10.1016/j.carbon.2019.03.018
UR - https://doi.org/10.1016%2Fj.carbon.2019.03.018
TI - Nanoporous graphene: A 2D semiconductor with anisotropic mechanical, optical and thermal conduction properties
T2 - Carbon
AU - Mortazavi, Bohayra
AU - Madjet, Mohamed El-Amine
AU - Shahrokhi, Masoud
AU - Ahzi, Said
AU - Zhuang, Xiaoying
AU - Rabczuk, Timon
PY - 2019
DA - 2019/06/01 00:00:00
PB - Elsevier
SP - 377-384
VL - 147
SN - 0008-6223
ER -
BibTex
Cite this
BibTex Copy
@article{2019_Mortazavi,
author = {Bohayra Mortazavi and Mohamed El-Amine Madjet and Masoud Shahrokhi and Said Ahzi and Xiaoying Zhuang and Timon Rabczuk},
title = {Nanoporous graphene: A 2D semiconductor with anisotropic mechanical, optical and thermal conduction properties},
journal = {Carbon},
year = {2019},
volume = {147},
publisher = {Elsevier},
month = {jun},
url = {https://doi.org/10.1016%2Fj.carbon.2019.03.018},
pages = {377--384},
doi = {10.1016/j.carbon.2019.03.018}
}
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