A Model Platform for Rapid, Robust, Directed, and Long-Range Vibrational Energy Transport: Insights from a Mixed Quantum-Classical Study of a 1D Molecular Chain
AIP Conference Proceedings(2017)
摘要
The design of devices that efficiently and robustly transport vibrational energy is of importance to applications in molecular electronics and quantum information processing. In this work, we study a 1D model of a molecular chain with repeating carbonyl-containing subunits that exhibits extremely rapid vibrational energy transport between its distal subunits. This model contains two key features: (i) the bare frequencies of the two distal carbonyl groups are equally shifted with respect to those of the remaining groups, and (ii) the carbonyl groups are coupled to a bath of coupled low-frequency harmonic oscillators. Using mixed quantum-classical dynamics, we investigate the effects of bath temperature and chain length on the energy transfer along the chain, following an excitation of a carbonyl mode at one end of the chain. At very low temperatures, we find that no substantial energy transfer takes place; however, over a wide range of higher temperatures, the excitation energy rapidly hops between the two terminal carbonyl groups regardless of the chain length. These findings suggest that such a model could be used as a platform for building devices that are capable of rapid, robust, directed, and long-range vibrational energy transport.
更多查看译文
关键词
Mixed Quantum-Classical Dynamics,Quantum-Classical Liouville Equation,Vibrational Energy Transport
AI 理解论文
溯源树
样例
![](https://originalfileserver.aminer.cn/sys/aminer/pubs/mrt_preview.jpeg)
生成溯源树,研究论文发展脉络
Chat Paper
正在生成论文摘要