Schnitzer Tobias, van den Bersselaar Bart W L, Lamers Brigitte A G, van Son Martin H C, Maessen Stefan J D, de Graaf Freek V, de Waal Bas F M, Trapp Nils, Vantomme Ghislaine, Meijer E W
Institute for Complex Molecular Systems, Eindhoven University of Technology, 5600MB Eindhoven, The Netherlands.
Institute of Organic Chemistry, Albert-Ludwigs University Freiburg, Albertstraße 21, 79110 Freiburg im Breisgau, Germany.
J Am Chem Soc. 2025 Jan 15;147(2):1991-1999. doi: 10.1021/jacs.4c14964. Epub 2025 Jan 5.
Spontaneous phase separation of materials is a powerful strategy to generate highly defined 2D nanomorphologies with novel properties and functions. Exemplary are such morphologies in block copolymers or amphiphilic systems, whose formation can be well predicted based on parameters such as volume fraction and shape factor. In contrast, the formation of 2D nanomorphologies is currently unpredictable in materials perfectly defined at the molecular level, in which crystallinity plays a significant role. Here, we introduce a crystal lattice analysis to predict a priori the formation of 2D nanomorphologies from the crystalline units in phase-separated soft materials. We show that the formation of lamellar morphologies, their domain spacings, and thermal transition temperatures of such materials can be predicted using a straightforward crystal lattice analysis workflow. We envision this approach to facilitate the design and discovery of new materials with 2D nanomorphologies that are essential for next-generation electronic applications.
材料的自发相分离是一种强大的策略，可用于生成具有新颖特性和功能的高度规整的二维纳米形态。嵌段共聚物或两亲体系中的此类形态即为典型例子，其形成可基于诸如体积分数和形状因子等参数进行很好的预测。相比之下，在分子水平上完美定义的材料中，二维纳米形态的形成目前是不可预测的，其中结晶度起着重要作用。在此，我们引入一种晶格分析方法，以便从相分离软材料中的结晶单元出发，先验地预测二维纳米形态的形成。我们表明，使用简单的晶格分析工作流程，可以预测此类材料的层状形态的形成、其畴间距以及热转变温度。我们设想这种方法将有助于设计和发现具有二维纳米形态的新材料，这些材料对于下一代电子应用至关重要。
