Study on the Mechanism of Nanopatterning in Printed Electronics Based on Molecular Dynamics Simulation  

基于分子动力学模拟的印刷电子纳米图案成型机理研究

作　　者：HUANG Hai-yang LI Yan ZHANG Run-liang 黄海洋;李艳;张润良(苏州市职业大学机电工程学院,苏州215104;北京印刷学院北京市数字印刷设备重点实验室,北京102600)

机构地区：[1]School of Mechanical and Electrical Engineering,Suzhou Vocational University,Suzhou,215104,China [2]Beijing Key Laboratory of Digital Printing Equipment,Beijing Institute of Graphic Communication,Beijing 102600,China

出　　处：《印刷与数字媒体技术研究》2024年第4期237-244,共8页Printing and Digital Media Technology Study

摘　　要：In order to research the feasibility of using the selective adsorption principle to achieve automatic shaping of nano patterns,in this study,using the liquid gallium as the conductive ink and graphene as the printing plate surface,by changing the surface wettability of patterned areas on the nanoscale of graphene printed boards,the automatic formation of liquid gallium patterns on the graphene printed plate surface was simulated.The results indicated that liquid gallium can achieve automatic patterning on the surface of graphene patterned areas;the greater the interaction energy between gallium and carbon atoms,the clearer the pattern;gallium liquid is prone to remain in complex local positions of the pattern,making it difficult to shape the pattern;if the spacing between adjacent pattern lines is too large or too small,it will result in residual gallium liquid between the lines;increasing the thickness of the gallium film will cause the pattern to expand beyond the boundary,but increasing the thickness of the gallium film can also enhance the thickness and uniformity of the pattern lines.In summary,the principle of selective adsorption can be used to achieve the automatic formation of nano patterns,and the pattern formation effect is influenced by factors such as atomic interaction energy and pattern configuration.为研究利用选择性吸附原理实现纳米图案自动成型的可行性,本研究选用液态镓作为导电油墨,石墨烯作为印版表面。通过改变纳米级石墨烯印版图案化区域的表面润湿性,模拟了石墨烯印版表面液态镓图案的自动成型过程。结果表明,液态镓可以在石墨烯印版图案化区域的表面实现自动图案化;镓和碳原子之间的相互作用能越大,图案就越清晰;镓液容易残留在图案复杂的局部位置,使图案难以成型;如果相邻图案线之间的间距过大或过小,将导致线之间残留镓液;增加镓膜的厚度将导致图案扩展到边界之外,但是增加镓膜厚度也可以增强图案线的厚度和均匀性。研究说明选择性吸附原理可以实现纳米图案的自动成型,图案成型效果受原子相互作用能和图案构型等因素的影响。

关 键 词：Molecular dynamics Liquid gallium GRAPHENE Pattern forming 

分 类 号：TS89[轻工技术与工程]