有机材料中的Gibbs-Curie-Wulff理论:表面能与有机单晶生长特性的范例研究
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- 英文论文题名：Gibbs–Curie–Wulff Theorem in Organic Materials: A Case Study on the Relationship between Surface Energy and Crystal Growth
- 论文作者：李荣金 ; 张小涛 ; 董焕丽 ; 李启楷 ; 帅志刚 ; 胡文平
- 英文论文作者：Li Rongjin ; Zhang Xiaotao ; Dong Huanli ; Li Qikai ; Shuai Zhigang ; Hu Wenping ; Tianjin Key Laboratory of Molecular Optoelectronic Science ; Department of Chemistry ; School of Science ; Tianjin University ; and Collaborative Innovation Center of Chemical Science and Engineering (Tianjin) ; Institute of Chemistry ; Tianjin University ; Beijing National Laboratory for Molecular Sciences ; Institute of Chemistry ; Chinese Academy of Sciences ; School of Materials Science and Engineering ; Tsinghua University ; Department of Chemistry ; Tsinghua University
- 年：2016
- 作者机构：天津大学理学院天津市分子光电科学重点实验室及天津化学化工协同创新中心;天津大学化学研究所;中科院化学所;清华大学材料科学与工程学院;清华大学化学系;
- 论文关键词：Gibbs–Curie–Wulff理论 ; 有机单晶 ; 单晶生长 ; 表面能
- 会议召开时间：2016-07-03
- 会议录名称：中国化学会第30届学术年会摘要集-论坛二：新型前沿交叉化学论坛
- 语种：中文
- 分类号：TN304.5;O781
- 学会代码：ZGHY
- 会议名称：中国化学会第30届学术年会-论坛二 ; 新型前沿交叉化学论坛
- 会议地点：中国辽宁大连
- 主办单位：中国化学会
- 学会名称：中国化学会
- 页数：2
- 文件大小：285k
- 原文格式：D
- 会议级别：全国
摘要
单晶形貌的预测和调控在半导体、制药、催化等领域至关重要。Gibbs-Curie-Wulff理论认为在热力学平衡条件下,晶体的平衡形貌要保证体系总自由能最低。此理论被大量实例证实适用于无机单晶(特别是无机纳米晶)。有机单晶的形貌是否可用Gibbs–Curie–Wulff理论预测并没有被证实。此研究选用了一种棒状无支链的具有良好的场效应晶体管性能有机半导体分子为研究对象。首先采用理论计算得到了该分子数个低指数晶面的表面能,并基于Gibbs–Curie–Wulff理论预测了晶体的平衡形貌。随后采用物理气相沉积的方法生长晶体,成功得到了微米尺度的单晶(如图所示)。研究发现在高温区生长得到的单晶形貌和理论预测的形貌相符合。原因是高温区传质速率快,晶体处于热力学平衡态。处于低温区的单晶受低传质速率的限制,晶体偏离平衡形貌。该研究为有机半导体形貌的精确预测和生长习性的调控提供了理论依据,在有机单晶研究领域具有重要意义。
Taking a linear organic semiconductor as an example, the Gibbs-Curie-Wulff theorem was proven to be applicable to predict the equilibrium shape of organic crystals. The surface free energies of several low-index faces was calculated and the equilibrium shape was obtained according to the theorem. The morphology of single crystals grown by the physical vapor transport technique was found to be in good agreement with the prediction. Moreover, the packing of the molecule in the crystal and the crystal shape evolution was also found to be closely related with the surface energies. The case study proved that it was possible to predicate the equilibrium shape of organic crystals by the Gibbs-Curie-Wulff theorem.
Taking a linear organic semiconductor as an example, the Gibbs-Curie-Wulff theorem was proven to be applicable to predict the equilibrium shape of organic crystals. The surface free energies of several low-index faces was calculated and the equilibrium shape was obtained according to the theorem. The morphology of single crystals grown by the physical vapor transport technique was found to be in good agreement with the prediction. Moreover, the packing of the molecule in the crystal and the crystal shape evolution was also found to be closely related with the surface energies. The case study proved that it was possible to predicate the equilibrium shape of organic crystals by the Gibbs-Curie-Wulff theorem.
引文
[1]Li,R.;Jiang,L.;Meng,Q.;Gao,J.;Li,H.;Tang,Q.;He,M.;Hu,W.;Liu,Y.;Zhu,D.Adv.Mater.2009,21:4492.
[2]Li,R.;Zhang,X.;Dong,H.;Li,Q.;Shuai,Z.;Hu,W.Adv.Mater.2016,28:1697.
[3]Li,R.;Hu,W.;Liu,Y.;Zhu,D.Acc.Chem.Res.2010,43:529.
[2]Li,R.;Zhang,X.;Dong,H.;Li,Q.;Shuai,Z.;Hu,W.Adv.Mater.2016,28:1697.
[3]Li,R.;Hu,W.;Liu,Y.;Zhu,D.Acc.Chem.Res.2010,43:529.