论文标题
马库斯分子连接的能量，工作，熵和热平衡
Energy, work, entropy and heat balance in Marcus molecular junctions
论文作者
论文摘要
我们在单分子连接中提出了一致的能量平衡和转化理论，在核环境中，分子接头（DOT）上的电子之间的相互作用很强，在核环境中，Marcus型电子跳跃过程占电子传输中占主导地位。结果表明，伴随电极与核（分子和溶剂）环境之间的电子跳交换的环境重组和放松可能会在有偏见的系统中带来后者中等的局部冷却。分析了周期性驱动的点水平对系统中产生的热传输和功率的影响，并在准息式方案内外都证明了能源节能。最后，建议并讨论了基于具有驱动电子水平的MARCUS单分子连接的原子比例发动机的简单模型。
We present a consistent theory of energy balance and conversion in a single-molecule junction with strong interactions between electrons on the molecular linker (dot) and phonons in the nuclear environment where the Marcus-type electron hopping processes predominate in the electron transport. It is shown that the environmental reorganization and relaxation that accompany electron hopping energy exchange between the electrodes and the nuclear (molecular and solvent) environment may bring a moderate local cooling of the latter in biased systems. The effect of a periodically driven dot level on the heat transport and power generated in the system is analyzed and energy conservation is demonstrated both within and beyond the quasistatic regime. Finally, a simple model of atomic scale engine based on a Marcus single-molecule junction with a driven electron level is suggested and discussed.
