Promoting electron mobility is the key to designing high performance electron transport materials (ETMs). Formation of intermolecular interaction can be helpful to enhance their electron mobilities as a result of more ordered molecular stacking. Here, to reveal the inherent influence of intermolecular π-π stacking on the electron mobilities, we designed two ETMs, namely, 2,4-diphenyl-6-[3-(2-triphenylenyl)phenyl]-1,3,5-triazine (TPTRZ) and 2,4-diphenyl-6-[4′-(2-triphenylenyl)[1,1′-biphenyl]-3-yl]-1,3,5-triazine (TPPTRZ). Thermal, photophysical and electrochemical measurement results indicate they are good ETM candidates. Additionally, TPTRZ and TPPTRZ exhibit high electron mobilities of 3.60×10⁻⁵ and 3.58×10⁻⁵ cm² V⁻¹ s⁻¹, respectively, at an electric field of 7×10⁵ V cm⁻¹. By taking X-ray single crystal structure, theoretical calculation and time of flight (TOF) results into consideration, it is revealed that strong intermolecular π-π stacking induced by planar triphenylene and triphenyltriazine units renders TPTRZ and TPPTRZ small energetic and positional disorder parameters, and results in their high electron mobilities thereby. By further enhancing intermolecular π-π stacking, ETMs with even higher electron mobilities can thus be anticipated.

促进电子迁移率是设计高性能电子传输材料（ETM）的关键。分子间相互作用的形成可有助于由于更有序的分子堆叠而增强其电子迁移率。在这里，为了揭示分子间π-π堆积对电子迁移率的内在影响，我们设计了两个ETM，即2,4-二苯基-6- [3-（2-三苯基苯基）苯基] -1,3,5-三嗪（TPTRZ）和2,4-二苯基-6- [4'-（2-三亚苯基）[1,1'-联苯] -3-基] -1,3,5-三嗪（TPPTRZ）。热，光物理和电化学测量结果表明它们是良好的ETM候选材料。此外，TPTRZ和TPPTRZ表现出3.60×10 ^-5和3.58×10 ^-5 cm ² V ^-1 s的高电子迁移率^-1分别在7×10 ⁵ V cm ^-1的电场下。通过考虑X射线单晶结构，理论计算和飞行时间（TOF），我们发现，平面三苯并三苯并三嗪单元诱导的强分子间π-π堆积使TPTRZ和TPPTRZ的能量和位置无序参数小，并因此导致它们的高电子迁移率。通过进一步增强分子间π-π堆积，可以预期具有更高电子迁移率的ETM。