Molecular dynamic simulation of layered graphene clusters formation from polyimides under extreme conditions

Dong, Yuan; Rismiller, Sean C.; Lin, Jian

doi:10.1016/j.carbon.2016.03.050

Cited by 123 publications

(105 citation statements)

References 35 publications

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“…[26] However, the underlying conversion mechanism for this method is still unclear, and the key parameters to ensure high-quality graphene are yet to be identified. A molecular dynamics (MD) simulation study by Dong et al suggests that under extreme conditions of high pressure (≈3 GPa) and temperature (>2400 K), which mimic those generated by the infrared laser induction, it is possible to form crystallized layered graphene clusters from PI without the assistance of metal catalysts; this result is consistent with previous experimental observations; [39] on the other hand, recent work [40,41] show that if UV laser, instead of infrared laser, is used in the conversion process, only very poor quality graphene can be produced, due possibly to the poor absorption of UV light by the carbon source or unoptimized processing conditions.In this study, we investigated in-depth the light-material interaction by developing a reactive MD model to disclose the transient process that leads to LIG formation and identified the critical parameters that govern this process. Following the theoretical prediction, we have experimentally demonstrated that picosecond UV laser processing can also be used to prepare high-quality LIG from PI at ambient conditions.…”

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confidence: 81%

“…However, the underlying conversion mechanism for this method is still unclear, and the key parameters to ensure high‐quality graphene are yet to be identified. A molecular dynamics (MD) simulation study by Dong et al suggests that under extreme conditions of high pressure (≈3 GPa) and temperature (>2400 K), which mimic those generated by the infrared laser induction, it is possible to form crystallized layered graphene clusters from PI without the assistance of metal catalysts; this result is consistent with previous experimental observations; on the other hand, recent work show that if UV laser, instead of infrared laser, is used in the conversion process, only very poor quality graphene can be produced, due possibly to the poor absorption of UV light by the carbon source or unoptimized processing conditions.…”

Section: Introductionsupporting

confidence: 69%

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UV Laser‐Induced Polyimide‐to‐Graphene Conversion: Modeling, Fabrication, and Application

et al. 2019

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In the past decade, graphene has shown great value in both fundamental sciences and practical applications. In spite of the intense research efforts on achieving chemical‐free, low‐temperature processing of high‐quality graphene, cost‐effective synthetic methods to directly fabricate graphene sheets on a substrate are still lacking. Laser‐induced graphene (LIG) is a recently developed method to directly form graphene from carbon‐rich materials. In this work, combined are theoretical and experimental approaches to systematically investigate the light‐material interactions in LIG fabrication processes. First, developed is a molecular dynamics model to disclose the transient formation process of LIG and identified are the critical parameters that govern this process. Following the theoretical prediction, developed is a system to utilize a picosecond UV laser to directly fabricate graphene from polyimide films at room temperature and under atmospheric pressure. After investigating the effects of the laser processing parameters on the LIG quality and subsequent processing optimization, it is experimentally demonstrated that picosecond UV laser processing can be used to prepare high‐quality LIG. With the newly developed LIG, fabricated is a high‐sensitive proximity sensor.

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supporting

confidence: 81%

Section: Introductionsupporting

confidence: 69%

UV Laser‐Induced Polyimide‐to‐Graphene Conversion: Modeling, Fabrication, and Application

et al. 2019

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“…[8] Therefore, the versatile surface properties of the final carbonaceous materials should be minted during the photothermal reaction and ultrafast cooling. Molecular dynamics (MD) simulation of this direct laser scribing on PI sheets process revealed that extreme conditions of high pressure (≈3 Gp) and high temperature(>2400 K) might be generated by laser induction.…”

Section: Doi: 101002/aelm201800092mentioning

confidence: 99%

Direct Semiconductor Laser Writing of Few‐Layer Graphene Polyhedra Networks for Flexible Solid‐State Supercapacitor

Liu

Liang

et al. 2018

Adv Elect Materials

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“…The entire process can be performed in ambient air without any solvents, thereby making it exceedingly attractive for industrial use. This protocol combines the 3D graphene synthesis with writing into a single step process that has stimulated research ranging from fundamental studies on the transformation process to the development of a large variety of engineering applications …”

Section: Introductionmentioning

confidence: 99%

Laser‐Induced Graphene: From Discovery to Translation

2018

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direct laser scribing with a commercial CO 2 infrared laser system as found in most machine shops, the product being termed laser-induced graphene (LIG). [15] LIG exhibits high surface area (≈340 m 2 g −1 ), high thermal stability (>900 °C), and excellent conductivity (5-25 S cm −1 ). [15] The entire process can be performed in ambient air without any solvents, thereby making it exceedingly attractive for industrial use. This protocol combines the 3D graphene synthesis with writing into a single step process that has stimulated research ranging from fundamental studies on the transformation process to the development of a large variety of engineering applications. [15][16][17][18][19][20][21][22] Here, starting from the discovery of LIG, we will first emphasize strategies for the engineering of chemical, physical, and electronic properties of LIG; specifically, the regulation of laser parameters, atmosphere, and substrates to control the porosity, composition, and morphology of the LIG. The controllable synthesis of LIG and ease in property engineering makes it a versatile material in various applications including in sustainable energy conversions such as water splitting and fuel cell technology, [20,23] supercapacitors (SCs) for energy storage, [15,16,[24][25][26] sensors for sound, photon, strain, and chemicals detection, [27][28][29][30][31][32][33] and microfluidics [34][35][36] that are applicable to the laboratory and industrial scales, as outlined. Finally, the future advancement, such as the development of flexible electronics and biodegradable devices, will be discussed.Laser-induced graphene (LIG) is a 3D porous material prepared by direct laser writing with a CO 2 laser on carbon materials in ambient atmosphere. This technique combines 3D graphene preparation and patterning into a single step without the need for wet chemical steps. Since its discovery in 2014, LIG has attracted broad research interest, with several papers being published per month using this approach. These serve to delineate the mechanism of the LIG-forming process and to showcase the translation into many application areas. Herein, the strategies that have been developed to synthesize LIG are summarized, including the control of LIG properties such as porosity, composition, and surface characteristics, and the advancement in methodology to convert diverse carbon precursors into LIG. Taking advantage of the LIG properties, the applications of LIG in broad fields, such as microfluidics, sensors, and electrocatalysts, are highlighted. Finally, future development in biodegradable and biocompatible materials is briefly discussed. Laser-Induced Graphene

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Molecular dynamic simulation of layered graphene clusters formation from polyimides under extreme conditions

Cited by 123 publications

References 35 publications

UV Laser‐Induced Polyimide‐to‐Graphene Conversion: Modeling, Fabrication, and Application

UV Laser‐Induced Polyimide‐to‐Graphene Conversion: Modeling, Fabrication, and Application

Direct Semiconductor Laser Writing of Few‐Layer Graphene Polyhedra Networks for Flexible Solid‐State Supercapacitor

Laser‐Induced Graphene: From Discovery to Translation

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