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. 2020 Nov 13;10(11):341.
doi: 10.3390/membranes10110341.

Thin Graphene-Nanotube Films for Electronic and Photovoltaic Devices: DFTB Modeling

Dmitry A Kolosov  1 , Vadim V Mitrofanov  1 , Michael M Slepchenkov  1 , Olga E Glukhova  1   2
Affiliations

Thin Graphene-Nanotube Films for Electronic and Photovoltaic Devices: DFTB Modeling

Dmitry A Kolosov et al. Membranes (Basel). .

Abstract

Supercell atomic models of composite films on the basis of graphene and single-wall carbon nanotubes (SWCNTs) with an irregular arrangement of SWCNTs were built. It is revealed that composite films of this type have a semiconducting type of conductivity and are characterized by the presence of an energy gap of 0.43-0.73 eV. It was found that the absorption spectrum of composite films contained specific peaks in a wide range of visible and infrared (IR) wavelengths. On the basis of calculated composite films volt-ampere characteristics (VAC), the dependence of the current flowing through the films on the distance between the nanotubes was identified. For the investigated composites, spectral dependences of the photocurrent were calculated. It was shown that depending on the distance between nanotubes, the maximum photocurrent might shift from the IR to the optical range.

Keywords: absorption coefficient; carbon nanotubes; composite films; graphene; photocurrent; volt-ampere characteristics.

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Conflict of interest statement

The authors declare no conflict of interest.

Figures

Figure 1
Figure 1
Topological models of graphene/single-wall carbon nanotube (SWCNT) composite films based on SWCNTs (10,0): (a) extended supercell of the composite film; (b) fragment of the composite film. The atoms of the supercell are highlighted in gray; the fragment of the composite film obtained by translating a supercell along the X and Y axes is highlighted in red.
Figure 2
Figure 2
DOS graphs of graphene/SWCNT composite films with different SWCNTs at different distances H1/H2 between SWCNTs: (a) film with SWCNT (10,0), numbers 1–5 correspond to the distances H1/H2 6/7–6/11 hexagons; (b) film with SWCNTs (12,0), numbers 1–5 correspond to the distances H1/H2 7/8–7/12 hexagons; (c) film with SWCNT (14,0), numbers 1–5 correspond to the distances H1/H2 8/9–8/13 hexagons; (d) film with SWCNT (16,0), numbers 1–5 correspond to the distances H1/H2 9/10–9/14 hexagons.
Figure 2
Figure 2
DOS graphs of graphene/SWCNT composite films with different SWCNTs at different distances H1/H2 between SWCNTs: (a) film with SWCNT (10,0), numbers 1–5 correspond to the distances H1/H2 6/7–6/11 hexagons; (b) film with SWCNTs (12,0), numbers 1–5 correspond to the distances H1/H2 7/8–7/12 hexagons; (c) film with SWCNT (14,0), numbers 1–5 correspond to the distances H1/H2 8/9–8/13 hexagons; (d) film with SWCNT (16,0), numbers 1–5 correspond to the distances H1/H2 9/10–9/14 hexagons.
Figure 3
Figure 3
Families of volt-ampere characteristic (VAC) curves of graphene/SWCNT composite films: (a) film with SWCNT (10,0) and H1/H2 6/9 hexagons; (b) film with SWCNT (12,0) and H1/H2 7/10 hexagons; (c) a film with SWCNT (14,0) and H1/H2 8/9 hexagons; (d) film with SWCNT (16,0) and H1/H2 9/14 hexagons. The curve with the number “1” denotes the composite film with the corresponding SWCNTs, the curve with the number “2” denotes the SWCNTs from the composite film, the curve with the number “3” denotes the initial SWCNTs, the curve with the number “4” denotes the initial graphene, and the curve with the number “5” denotes the graphene from the composite film.
Figure 4
Figure 4
Absorption spectra of graphene/SWCNT composite films with different SWCNTs and distances H1/H2 between them: (a) film with SWCNTs (10,0), numbers 1–5 correspond to H1/H2 of 6/7–6/11 hexagons; (b) film with SWCNTs (12,0), numbers 1–5 correspond to H1/H2 of 7/8–7/12 hexagons; (c) film with SWCNTs (14,0), numbers 1–5 correspond to H1/H2 of 8/9–8/13 hexagons; (d) film with SWCNTs (16,0), numbers 1–5 correspond to H1/H2 of 9/10–9/14 hexagons; (e) film with SWCNTs (10,0) and H1/H2 6/7 hexagons film components; (f) graphene and SWCNT in the composite film with SWCNTs (10,0) and H1/H2 6/7 hexagons, ideal graphene and SWCNT.
Figure 4
Figure 4
Absorption spectra of graphene/SWCNT composite films with different SWCNTs and distances H1/H2 between them: (a) film with SWCNTs (10,0), numbers 1–5 correspond to H1/H2 of 6/7–6/11 hexagons; (b) film with SWCNTs (12,0), numbers 1–5 correspond to H1/H2 of 7/8–7/12 hexagons; (c) film with SWCNTs (14,0), numbers 1–5 correspond to H1/H2 of 8/9–8/13 hexagons; (d) film with SWCNTs (16,0), numbers 1–5 correspond to H1/H2 of 9/10–9/14 hexagons; (e) film with SWCNTs (10,0) and H1/H2 6/7 hexagons film components; (f) graphene and SWCNT in the composite film with SWCNTs (10,0) and H1/H2 6/7 hexagons, ideal graphene and SWCNT.
Figure 5
Figure 5
Photocurrent of graphene/SWCNT composite films for the solar spectrum at AM1.5, and in the inserts at AM0: (a) solar power spectrum; (b) films with SWCNTs (10,0), numbers 1–5 correspond to H1/H2 of 6/7–6/11 hexagons; (c) films with SWCNTs (12,0), numbers 1–5 correspond to H1/H2 of 7/8–7/12 hexagons; (d) films with SWCNTs (14,0), numbers 1–5 correspond to H1/H2 of 8/9–8/13 hexagons; (e) films with SWCNTs (16,0), numbers 1–5 correspond to H1/H2 of 9/10–9/14 hexagons.
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References

    1. Shi E., Li H., Yang L., Hou J., Li Y., Li L., Cao A., Fang Y. Carbon nanotube network embroidered graphene films for monolithic all-carbon electronics. Adv. Mater. 2015;27:682–688. doi: 10.1002/adma.201403722. - DOI - PubMed
    1. Wang R., Hong T., Xu Y.Q. Ultrathin single-walled carbon nanotube network framed graphene hybrids. ACS Appl. Mater. Interfaces. 2015;7:5233–5238. doi: 10.1021/am5082843. - DOI - PubMed
    1. Yun H., Kwak J., Kim S., Seo H., Bang I., Kim S.Y., Kang S., Kwon S. High performance all-carbon composite transparent electrodes containing uniform carbon nanotube networks. J. Alloys Compd. 2016;675:37–45. doi: 10.1016/j.jallcom.2016.03.102. - DOI
    1. Seo H., Yun H.D., Kwon S.Y., Bang I.C. Hybrid Graphene and Single-Walled Carbon Nanotube Films for Enhanced Phase-Change Heat Transfer. Nano Lett. 2016;16:932–938. doi: 10.1021/acs.nanolett.5b03832. - DOI - PubMed
    1. Chi X., Zhang J., Nshimiyimana J.P., Hu X., Wu P., Liu S., Liu J., Chu W., Sun L. Wettability of monolayer graphene/single-walled carbon nanotube hybrid films. RSC Adv. 2017;7:48184–48188. doi: 10.1039/C7RA09934G. - DOI

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