Concentration-Dominated Orientation of Phenyl Groups at the Polystyrene/Graphene Interface,ACS Macro Letters

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Concentration-Dominated Orientation of Phenyl Groups at the Polystyrene/Graphene Interface
ACS Macro Letters ( IF 5.1 ) Pub Date : 2020-06-03 , DOI: 10.1021/acsmacrolett.0c00279
Yongming Hong ₁ , Senyang Bao ₁ , Xiang Xiang ₁ , Xinping Wang ₁

Affiliation

The interfacial orientation of aromatic groups plays a crucial role in determining the properties of graphene-based aromatic polymer nanocomposites. Here, the interfacial orientation of the polystyrene (PS) phenyl groups in contact with graphene is revealed by sum frequency generation (SFG) vibrational spectroscopy. The SFG spectra showed that the orientation of the phenyl groups is closely related to the interfacial concentration as the chains reach the quasi-equilibrium state. The phenyl groups remain in a relatively unrestricted state at a low concentration of the PS phenyl groups, and they prefer to recline to more favorably interact with graphene via a face-to-face configuration. Densely stacked phenyl groups are too crowded to form multilayer face-to-face interactions with graphene, and they prefer to remain upright, while π–π interactions are formed among the phenyl groups themselves in addition to the edge-to-face interactions to maximize the bonding energy of the π–π interactions. This is enthalpically favorable and driven mainly by the π–π interactions. This work provides important knowledge for the design and optimization of functional graphene-based aromatic polymer nanocomposites.

中文翻译：

聚苯乙烯/石墨烯界面上苯基的浓度主导取向

芳香族基团的界面取向在确定石墨烯基芳香族聚合物纳米复合材料的性能方面起着至关重要的作用。在这里，通过和频发生 (SFG) 振动光谱揭示了与石墨烯接触的聚苯乙烯 (PS) 苯基的界面取向。SFG光谱表明，随着链达到准平衡状态，苯基的取向与界面浓度密切相关。苯基在低浓度的 PS 苯基下保持相对不受限制的状态，并且它们更倾向于倾斜以通过面对面的配置更有利地与石墨烯相互作用。密集堆叠的苯基过于拥挤，无法与石墨烯形成多层面对面的相互作用，它们更喜欢保持直立，而 π-π 相互作用在苯基本身之间形成，除了边对面的相互作用，以最大化 π-π 相互作用的键能。这是焓有利的，主要由 π-π 相互作用驱动。这项工作为功能性石墨烯基芳香族聚合物纳米复合材料的设计和优化提供了重要知识。

更新日期：2020-06-03

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