Department of Physics, The University of Akron, Akron, Ohio 44325, USA.
Nanotechnology. 2014 Jun 13;25(23):235201. doi: 10.1088/0957-4484/25/23/235201. Epub 2014 May 21.
Novel fullerene-porphyrin supramolecular nanocables were designed and their electronic properties were studied using computational modeling and first-principles density functional theory. It is demonstrated that two well-defined fullerene-porphyrin nanocables have clear channels for charge transport by electrons and holes. These two interesting nanocables have zigzag or helical chains of C(60) molecules around a π-stacked porphyrin core. They also have frontier electronic states which are spatially extended along the axes of the nanocables. Ballistic electronic transport is possible for ultrafast transfer of electrons along C(60) chains. We believe these supramolecular nanocables can play important roles in molecular electronics, optoelectronics and photovoltaics.
新型富勒烯-卟啉超分子纳米电缆被设计出来，并使用计算建模和第一性原理密度泛函理论对其电子性质进行了研究。结果表明，两种明确的富勒烯-卟啉纳米电缆具有电子和空穴传输的清晰通道。这两种有趣的纳米电缆具有围绕π-堆积卟啉核心的 C(60)分子的锯齿形或螺旋链。它们还具有沿纳米电缆轴延伸的前沿电子态。对于电子沿着 C(60)链的超快转移，弹道电子输运是可能的。我们相信这些超分子纳米电缆在分子电子学、光电学和光伏领域可以发挥重要作用。
