| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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Highly stable two-dimensional graphene oxide: Electronic properties of its periodic structure and optical properties of its nanostructures |
| Qin Zhang(张琴)1, Hong Zhang(张红)1,2, Xin-Lu Cheng(程新路)2 |
1. College of Physical Science and Technology, Sichuan University, Chengdu 610065, China;
2. Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610065, China |
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Abstract According to first principle simulations, we theoretically predict a type of stable single-layer graphene oxide (C2O). Using density functional theory (DFT), C2O is found to be a direct gap semiconductor. In addition, we obtain the absorption spectra of the periodic structure of C2O, which show optical anisotropy. To study the optical properties of C2O nanostructures, time-dependent density functional theory (TDDFT) is used. The C2O nanostructure has a strong absorption near 7 eV when the incident light polarizes along the armchair-edge. Besides, we find that the optical properties can be controlled by the edge configuration and the size of the C2O nanostructure. With the elongation strain increasing, the range of light absorption becomes wider and there is a red shift of absorption spectrum.
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Received: 18 September 2017
Revised: 06 November 2017
Accepted manuscript online:
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PACS:
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73.20.At
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(Surface states, band structure, electron density of states)
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71.15.Mb
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(Density functional theory, local density approximation, gradient and other corrections)
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73.20.Mf
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(Collective excitations (including excitons, polarons, plasmons and other charge-density excitations))
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| Fund: Project supported by the National Key Research and Development Program of China (Grant No. 2017YFA0303600) and the National Natural Science Foundation of China (Grant Nos. 11474207 and 11374217). |
Corresponding Authors:
Hong Zhang
E-mail: hongzhang@scu.edu.cn
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| About author: 73.20.At; 71.15.Mb; 73.20.Mf |
Cite this article:
Qin Zhang(张琴), Hong Zhang(张红), Xin-Lu Cheng(程新路) Highly stable two-dimensional graphene oxide: Electronic properties of its periodic structure and optical properties of its nanostructures 2018 Chin. Phys. B 27 027301
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