通过一维的短键和位移的pi-pi堆叠,聚合[4]基纳米管捆的组装现象

Kwang S Kim1, Seung Bum Suh, Jong Chan Kim

  • 1National Creative Research Initiative Center for Superfunctional Materials and Department of Chemistry, Division of Molecular and Life Sciences, Pohang University of Science and Technology, San 31, Hyojadong, Namgu, Pohang 790-784, Korea. kim@postech.ac.kr

概括

这项研究评估了设计卡力克斯[4]化 (CHQ) 纳米管的计算方法. 计算澄清了键和pi-pi堆叠之间的竞争,帮助未来的纳米材料设计.