A Molecular Dynamics Simulation Study: The Inkjet Printing of Graphene Inks on Polyimide Substrates

Inkjet printing-based 2D materials for flexible electronics have aroused much interest due to their highly low-cost customization and manufacturing resolution. However, there is a lack of investigation and essential understanding of the surface adhesion affected by the printing parameters at the ato...

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Autores principales:	Lingjun Wu, Wei Wang, Haitao Zhao, Libo Gao, Jibao Lu, Rong Sun
Formato:	article
Lenguaje:	EN
Publicado:	Frontiers Media S.A. 2021
Materias:	surface adhesion inkjet printing 2D material graphene polyimide molecular dynamics Technology T
Acceso en línea:	https://doaj.org/article/8d738d0ca483472e838e9fc826ef4edf
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spelling	oai:doaj.org-article:8d738d0ca483472e838e9fc826ef4edf2021-11-30T18:52:21ZA Molecular Dynamics Simulation Study: The Inkjet Printing of Graphene Inks on Polyimide Substrates2296-801610.3389/fmats.2021.769071https://doaj.org/article/8d738d0ca483472e838e9fc826ef4edf2021-11-01T00:00:00Zhttps://www.frontiersin.org/articles/10.3389/fmats.2021.769071/fullhttps://doaj.org/toc/2296-8016Inkjet printing-based 2D materials for flexible electronics have aroused much interest due to their highly low-cost customization and manufacturing resolution. However, there is a lack of investigation and essential understanding of the surface adhesion affected by the printing parameters at the atomic scale. Herein, we conducted a systematic molecular dynamics simulation investigating the inkjet printing of graphitic inks on polyimide substrates under various conditions. Simulations under different temperatures, inkjet velocities, and mechanical loadings such as pressure and deformation are performed. The results show that the best adhesion is achieved in the plasma-modified polyimide/graphene-oxide (mPI/GO) interfacial system (the interaction energy (Ein) between mPI and GO is ca. 1.2 times than with graphene). The adhesion strength decreases with increasing temperature, and higher inkjet velocities lead to both larger impact force as well as interfacial fluctuation, while the latter may result in greater interfacial instability. When loaded with pressure, the adhesion strength reaches a threshold without further improvement as continuing compacting of polymer slabs can hardly be achieved. The detachment of the interfaces was also explored and mPI/GO shows better resistance against delamination. Hopefully, our simulation study paves the way for future inkjet printing-based manufacturing of graphene-based flexible electronics.Lingjun WuWei WangHaitao ZhaoLibo GaoLibo GaoJibao LuRong SunFrontiers Media S.A.articlesurface adhesioninkjet printing2D materialgraphenepolyimidemolecular dynamicsTechnologyTENFrontiers in Materials, Vol 8 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	surface adhesion inkjet printing 2D material graphene polyimide molecular dynamics Technology T
spellingShingle	surface adhesion inkjet printing 2D material graphene polyimide molecular dynamics Technology T Lingjun Wu Wei Wang Haitao Zhao Libo Gao Libo Gao Jibao Lu Rong Sun A Molecular Dynamics Simulation Study: The Inkjet Printing of Graphene Inks on Polyimide Substrates
description	Inkjet printing-based 2D materials for flexible electronics have aroused much interest due to their highly low-cost customization and manufacturing resolution. However, there is a lack of investigation and essential understanding of the surface adhesion affected by the printing parameters at the atomic scale. Herein, we conducted a systematic molecular dynamics simulation investigating the inkjet printing of graphitic inks on polyimide substrates under various conditions. Simulations under different temperatures, inkjet velocities, and mechanical loadings such as pressure and deformation are performed. The results show that the best adhesion is achieved in the plasma-modified polyimide/graphene-oxide (mPI/GO) interfacial system (the interaction energy (Ein) between mPI and GO is ca. 1.2 times than with graphene). The adhesion strength decreases with increasing temperature, and higher inkjet velocities lead to both larger impact force as well as interfacial fluctuation, while the latter may result in greater interfacial instability. When loaded with pressure, the adhesion strength reaches a threshold without further improvement as continuing compacting of polymer slabs can hardly be achieved. The detachment of the interfaces was also explored and mPI/GO shows better resistance against delamination. Hopefully, our simulation study paves the way for future inkjet printing-based manufacturing of graphene-based flexible electronics.
format	article
author	Lingjun Wu Wei Wang Haitao Zhao Libo Gao Libo Gao Jibao Lu Rong Sun
author_facet	Lingjun Wu Wei Wang Haitao Zhao Libo Gao Libo Gao Jibao Lu Rong Sun
author_sort	Lingjun Wu
title	A Molecular Dynamics Simulation Study: The Inkjet Printing of Graphene Inks on Polyimide Substrates
title_short	A Molecular Dynamics Simulation Study: The Inkjet Printing of Graphene Inks on Polyimide Substrates
title_full	A Molecular Dynamics Simulation Study: The Inkjet Printing of Graphene Inks on Polyimide Substrates
title_fullStr	A Molecular Dynamics Simulation Study: The Inkjet Printing of Graphene Inks on Polyimide Substrates
title_full_unstemmed	A Molecular Dynamics Simulation Study: The Inkjet Printing of Graphene Inks on Polyimide Substrates
title_sort	molecular dynamics simulation study: the inkjet printing of graphene inks on polyimide substrates
publisher	Frontiers Media S.A.
publishDate	2021
url	https://doaj.org/article/8d738d0ca483472e838e9fc826ef4edf
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A Molecular Dynamics Simulation Study: The Inkjet Printing of Graphene Inks on Polyimide Substrates

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