导电油墨中保护剂与银表面相互作用机理  

Interaction Mechanism between Protective Agent and Silver Surface in Conductive Ink

作　　者：王云燕[1,2,3] 薛倩 袁英才[1,2,3] 乔俊伟 许建林 顾天祺 李艳[1,2,3] WANG Yun-yan;XUE Qian;YUAN Ying-cai;QIAO Jun-wei;XU Jian-lin;GU Tian-qi;LI Yan(Beijing Key Laboratory of Digitization Printing Equipment,Beijing Institute of Graphic Communication,Beijing 102600,China;Engineering Research Center of Printing Equipment of Beijing Universities,Beijing Institute of Graphic Communication,Beijing 102600,China;Beijing Engineering Research Center of Printed Electronics,Beijing Institute of Graphic Communication,Beijing 102600,China;Shanghai Publishing and Printing College,Shanghai 200093,China;Science and Technology on Space Physics Laboratory,Beijing 100076,China)

机构地区：[1]北京印刷学院数字化印刷装备北京市重点实验室,北京102600 [2]北京印刷学院印刷装备北京市高等学校工程研究中心,北京102600 [3]北京印刷学院北京市印刷电子工程技术研发中心,北京102600 [4]上海出版印刷高等专科学校,上海200093 [5]空间物理重点实验室,北京100076

出　　处：《包装工程》2022年第3期24-31,共8页Packaging Engineering

基　　金：国家新闻出版署2019年度优秀重点实验室资助项目(Z6E-0404-20-01-01y);国家新闻出版署智能与绿色柔版印刷重点实验室招标课题(ZBKT202006)。

摘　　要：目的研究导电油墨保护剂去除机理,为降低烧结所需能量、实现印刷电子的精准烧结提供参考依据。方法通过分子动力学(MD)方法建立导电油墨中常使用的羧酸类小分子保护剂和聚合物保护剂模型,计算保护剂与银表面的相互作用能。结果模拟计算结果表明,相互作用能大小主要与保护剂分子的相对分子质量、所含的官能团种类及其数量相关。保护剂的相对分子质量越大,与银表面之间的相互作用能绝对值越大,烧结后处理需要的能量越高;同时通过偶数碳羧酸保护剂与银表面的相互作用能拟合出线性曲线,可预测不同偶数碳链羧酸保护剂与银表面相互作用能。通过在铜版纸、聚酰亚胺(PI)薄膜2种柔性基材上进行近红外烧结实验可以明确,在导电油墨烧结过程中存在去除保护剂和致密化2个阶段,且2个阶段同步交叉进行,烧结温度越高,烧结进程越快。结论揭示了导电油墨保护剂去除机理,有助于在配制导电油墨时选择合适的保护剂,实现精准烧结,节约能源。The work aims to study the removal mechanism of the protective agent in conductive ink,so as to provide a reference basis for reducing sintering energy and realizing accurate sintering of printed electronics.The molecular dynamics(MD)method was used to establish models for protective agents containing carboxylic acids and polymers commonly used in conductive inks,to calculate the interaction energy between protective agents and silver surface.According to the simulation results,the magnitude of the interaction energy was mainly related to the relative molecular mass of protective agent and the variety and quantity of functional groups.With the increasing relative molecular mass of the protective agent,the absolute value of the interaction energy became greater and the energy for sintering became higher.At the same time,a linear curve was fitted by the interaction energy between the protective agent containing even number of carboxylic acid and the silver surface,which could also predict the interaction energy between the protective agent containing different even numbers of carboxylic acid and the silver surface.Through the near-infrared sintering experiments on two flexible substrates such as coated paper,and polyimide(PI)film,it was clear that there existed two stages in the sintering process of conductive ink:removal of protective agent and the densification process,and the two stages were conducted in synchronous crossing.As the sintering temperature increased,the sintering process became fast.The removal mechanism of the protective agent in conductive ink is revealed,which is conductive to selecting a suitable protective agent when preparing conductive ink,thus achieving precise sintering and saving energy.

关 键 词：导电油墨 保护剂 分子动力学 相互作用能 烧结 致密化 机理 

分 类 号：TS802.3[轻工技术与工程]