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多孔石墨烯:电子性质与电导率的拓扑控制

Holey Graphene: Topological Control of Electronic Properties and Electric Conductivity.

作者信息

Barkov Pavel V, Glukhova Olga E

机构信息

Institute of Physics, Saratov State University, 410012 Saratov, Russia.

Institute for Bionic Technologies and Engineering, I.M. Sechenov First Moscow State Medical University (Sechenov University), 119991 Moscow, Russia.

出版信息

Nanomaterials (Basel). 2021 Apr 22;11(5):1074. doi: 10.3390/nano11051074.

DOI:10.3390/nano11051074
PMID:33922014
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8143499/
Abstract

This paper studies holey graphene with various neck widths (the smallest distance between two neighbor holes). For the considered structures, the energy gap, the Fermi level, the density of electronic states, and the distribution of the local density of electronic states (LDOS) were found. The electroconductive properties of holey graphene with round holes were calculated depending on the neck width. It was found that, depending on the neck width, holey graphene demonstrated a semiconductor type of conductivity with an energy gap varying in the range of 0.01-0.37 eV. It was also shown that by changing the neck width, it is possible to control the electrical conductivity of holey graphene. The anisotropy of holey graphene electrical conductivity was observed depending on the direction of the current transfer.

摘要

本文研究了具有不同颈部宽度(两个相邻孔之间的最小距离)的多孔石墨烯。对于所考虑的结构,发现了能隙、费米能级、电子态密度以及局部电子态密度(LDOS)的分布。根据颈部宽度计算了圆孔多孔石墨烯的导电性能。结果发现,根据颈部宽度的不同,多孔石墨烯表现出半导体类型的导电性,能隙在0.01 - 0.37 eV范围内变化。还表明,通过改变颈部宽度,可以控制多孔石墨烯的电导率。观察到多孔石墨烯的导电率存在取决于电流传输方向的各向异性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8674/8143499/9dc9ce96de58/nanomaterials-11-01074-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8674/8143499/18ad36d54791/nanomaterials-11-01074-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8674/8143499/2bd149c99fda/nanomaterials-11-01074-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8674/8143499/cd770388bb3a/nanomaterials-11-01074-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8674/8143499/6fd4506267c1/nanomaterials-11-01074-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8674/8143499/78de655ab187/nanomaterials-11-01074-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8674/8143499/9dc9ce96de58/nanomaterials-11-01074-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8674/8143499/18ad36d54791/nanomaterials-11-01074-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8674/8143499/2bd149c99fda/nanomaterials-11-01074-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8674/8143499/cd770388bb3a/nanomaterials-11-01074-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8674/8143499/6fd4506267c1/nanomaterials-11-01074-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8674/8143499/78de655ab187/nanomaterials-11-01074-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8674/8143499/9dc9ce96de58/nanomaterials-11-01074-g006.jpg

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本文引用的文献

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Materials (Basel). 2020 Nov 19;13(22):5219. doi: 10.3390/ma13225219.
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DFTB+, a software package for efficient approximate density functional theory based atomistic simulations.DFTB+,一个用于基于高效近似密度泛函理论的原子模拟的软件包。
J Chem Phys. 2020 Mar 31;152(12):124101. doi: 10.1063/1.5143190.
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Optimally conductive networks in randomly dispersed CNT:graphene hybrids.
随机分散的碳纳米管:石墨烯杂化物中的最佳导电网络。
Sci Rep. 2015 Nov 13;5:16568. doi: 10.1038/srep16568.
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Water desalination using nanoporous single-layer graphene.使用纳米多孔单层石墨烯进行海水淡化。
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