Modulation of Graphene Interlayer Spacing by Superatoms

Zhonghua Liu; Famin Yu; Rui Wang; Wanrong Huang; Rui-Qin Zhang; Yan Xue; Zhigang Wang

doi:10.1021/acs.jpcc.2c08437

Modulation of Graphene Interlayer Spacing by Superatoms

Zhonghua Liu, Famin Yu, Rui Wang, Wanrong Huang, Rui-Qin Zhang^*, Yan Xue^*, Zhigang Wang^*

^*Corresponding author for this work

Department of Physics

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

3 Citations (Scopus)

Abstract

Due to the limited variety of natural atoms and the preparation of nanoparticles with low size polydispersity, it is still a challenge to adjust the interesting properties of graphene at the atomic level by changing its interlayer spacing. Here, we demonstrate that superatoms can fill the deficiency by providing adjustable and stable intercalation units between graphene layers, offering effective control of the interlayer distance. Our calculations show that for Au₂₀ superatoms intercalating between graphene interlayers, as their density increases from 2.1 × 10^-3 to 4.0 × 10^-3 superatom/Å², the graphene interlayer spacing increases from 9.3 to 11.4 Å. The Au₂₀ maintains to be in a dispersion interaction-dominated physical adsorption state with the graphene layer till the density is decreased to 1.6 × 10^-3 superatom/Å², after which the graphene can crush Au₂₀, resulting in a graphene structure with chemical adsorption of the deformed Au₂₀. This work suggests that superatoms can have an important prospect in membrane separation applications. © 2023 American Chemical Society.

Original language	English
Pages (from-to)	4334–4340
Number of pages	7
Journal	The Journal of Physical Chemistry C
Volume	127
Issue number	8
Online published	15 Feb 2023
DOIs	https://doi.org/10.1021/acs.jpcc.2c08437
Publication status	Published - 2 Mar 2023

Funding

This work was supported by the National Natural Science Foundation of China (grant number 11974136) and the Research Grant Council of Hong Kong SAR (11317122). Z.W. also acknowledges the High-Performance Computing Center of Jilin University and the National Supercomputing Center in Shanghai.

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title = "Modulation of Graphene Interlayer Spacing by Superatoms",

abstract = "Due to the limited variety of natural atoms and the preparation of nanoparticles with low size polydispersity, it is still a challenge to adjust the interesting properties of graphene at the atomic level by changing its interlayer spacing. Here, we demonstrate that superatoms can fill the deficiency by providing adjustable and stable intercalation units between graphene layers, offering effective control of the interlayer distance. Our calculations show that for Au20 superatoms intercalating between graphene interlayers, as their density increases from 2.1 × 10-3 to 4.0 × 10-3 superatom/{\AA}2, the graphene interlayer spacing increases from 9.3 to 11.4 {\AA}. The Au20 maintains to be in a dispersion interaction-dominated physical adsorption state with the graphene layer till the density is decreased to 1.6 × 10-3 superatom/{\AA}2, after which the graphene can crush Au20, resulting in a graphene structure with chemical adsorption of the deformed Au20. This work suggests that superatoms can have an important prospect in membrane separation applications. {\textcopyright} 2023 American Chemical Society.",

author = "Zhonghua Liu and Famin Yu and Rui Wang and Wanrong Huang and Rui-Qin Zhang and Yan Xue and Zhigang Wang",

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T1 - Modulation of Graphene Interlayer Spacing by Superatoms

AU - Liu, Zhonghua

AU - Yu, Famin

AU - Wang, Rui

AU - Huang, Wanrong

AU - Zhang, Rui-Qin

AU - Xue, Yan

AU - Wang, Zhigang

PY - 2023/3/2

Y1 - 2023/3/2

N2 - Due to the limited variety of natural atoms and the preparation of nanoparticles with low size polydispersity, it is still a challenge to adjust the interesting properties of graphene at the atomic level by changing its interlayer spacing. Here, we demonstrate that superatoms can fill the deficiency by providing adjustable and stable intercalation units between graphene layers, offering effective control of the interlayer distance. Our calculations show that for Au20 superatoms intercalating between graphene interlayers, as their density increases from 2.1 × 10-3 to 4.0 × 10-3 superatom/Å2, the graphene interlayer spacing increases from 9.3 to 11.4 Å. The Au20 maintains to be in a dispersion interaction-dominated physical adsorption state with the graphene layer till the density is decreased to 1.6 × 10-3 superatom/Å2, after which the graphene can crush Au20, resulting in a graphene structure with chemical adsorption of the deformed Au20. This work suggests that superatoms can have an important prospect in membrane separation applications. © 2023 American Chemical Society.

AB - Due to the limited variety of natural atoms and the preparation of nanoparticles with low size polydispersity, it is still a challenge to adjust the interesting properties of graphene at the atomic level by changing its interlayer spacing. Here, we demonstrate that superatoms can fill the deficiency by providing adjustable and stable intercalation units between graphene layers, offering effective control of the interlayer distance. Our calculations show that for Au20 superatoms intercalating between graphene interlayers, as their density increases from 2.1 × 10-3 to 4.0 × 10-3 superatom/Å2, the graphene interlayer spacing increases from 9.3 to 11.4 Å. The Au20 maintains to be in a dispersion interaction-dominated physical adsorption state with the graphene layer till the density is decreased to 1.6 × 10-3 superatom/Å2, after which the graphene can crush Au20, resulting in a graphene structure with chemical adsorption of the deformed Au20. This work suggests that superatoms can have an important prospect in membrane separation applications. © 2023 American Chemical Society.

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U2 - 10.1021/acs.jpcc.2c08437

DO - 10.1021/acs.jpcc.2c08437

M3 - RGC 21 - Publication in refereed journal

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VL - 127

SP - 4334

EP - 4340

JO - The Journal of Physical Chemistry C

JF - The Journal of Physical Chemistry C

IS - 8

ER -

Modulation of Graphene Interlayer Spacing by Superatoms

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Modulation of Graphene Interlayer Spacing by Superatoms

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