Mingda Ding^1*, Taiki Inoue¹, John Isaac Enriquez², Harry Handoko Halim², Yui Ogawa³, Yoshitaka Taniyasu³, Yuji Hamamoto², Yoshitada Morikawa², Yoshihiro Kobayashi^1*

1 Department of Applied Physics, Graduate School of Engineering, Osaka University, Suita, Osaka, Japan

2 Department of Precision Engineering, Graduate School of Engineering, Osaka University, Suita, Osaka, Japan

3 NTT Basic Research Laboratories, NTT Corporation, Kanagawa, Japan

* Corresponding authors emails: ding@ap.eng.osaka-u.ac.jp, kobayashi@ap.eng.osaka-u.ac.jp

DOI10.24435/materialscloud:6r-v1 [version v1]

Publication date: Dec 14, 2023

How to cite this record

Mingda Ding, Taiki Inoue, John Isaac Enriquez, Harry Handoko Halim, Yui Ogawa, Yoshitaka Taniyasu, Yuji Hamamoto, Yoshitada Morikawa, Yoshihiro Kobayashi, Reduction of interlayer interaction in multilayer stacking graphene with carbon nanotube insertion: Insights from experiment and simulation, Materials Cloud Archive 2023.195 (2023), https://doi.org/10.24435/materialscloud:6r-v1

Description

We insert carbon nanotubes (CNT) as nanospacers to modulate the microstructure of multilayer stacking graphene. Nanospacers can increase interlayer distance and reduce interlayer interaction. The graphene/CNT stacking structure is experimentally fabricated and Raman spectroscopy verifies the reduction in interlayer interaction within the stacking structure. Thus, we study the microstructure of the stacked graphene and CNTs by molecular dynamics simulation to systematically investigate the effect of CNT insertion. The distribution distance, size, and arrangement of the CNT can modulate the interlayer distance. The graphene/CNT stacking structure exhibits two stable configurations: the upper-layer suspension and interlayer adsorption.

Materials Cloud sections using this data

Files

File name	Size	Description
in.stacking_LgvAFSubfixPBD.in MD5md5:45d5746b4c34081389d2fc6b363e8c62	1.9 KiB	Input file for LAMMPS simulation for the energetically favorable configuration of graphene/CNT stacking stuctures
in.stacking_ComputeEnergy.in MD5md5:78a0e401b3f9dfaa0da8c60e8ebeb76b	2.5 KiB	Input file for LAMMPS simulation which can output the energy of one frame
CNT_PBD_2tubes.zip MD5md5:9a8bb695612c28c346668ba403374927	52.5 MiB	Graphene/CNT stacking structures (.data file) with two parallel aligned CNTs
CNT_PBD_3tubes.zip MD5md5:dd965199a66fd7b2f79ea0dafc53a09f	3.2 MiB	Graphene/CNT stacking structures (.data file) with three parallel aligned CNTs
CrossCNT.zip MD5md5:5fedafb9e77b3986aa8a1ed302053b5a	6.6 MiB	Graphene/CNT stacking structure with two cross-aligened CNTs
dump2data.m MD5md5:4fbe412dbeac497f0d6fb9e80508ef32	2.7 KiB	MATLAB code which can turn the output .dump file into .data file for LAMMPS
README.txt MD5md5:9526df4dfb50a4b4b4af8f1f6dffc475	1.6 KiB	Description of all the files.

License

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Metadata, except for email addresses, are licensed under the Creative Commons Attribution Share-Alike 4.0 International license.

External references

Keywords

graphene/carbon nanotube molecular dynamics stacking structure