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Vibrational Heat Transport in Molecular Junctions

机译：分子连接中的振动热传输

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摘要

We review studies of vibrational energy transfer in a molecular junction geometry, consisting of a molecule bridging two heat reservoirs, solids or large chemical compounds. This setup is of interest for applications in molecular electronics, thermoelectrics, and nanophononics, and for addressing basic questions in the theory of classical and quantum transport. Calculations show that system size, disorder, structure, dimensionality, internal anharmonicities, contact interaction, and quantum coherent effects are factors that combine to determine the predominant mechanism (ballistic/diffusive), effectiveness (poor/good), and functionality (linear/nonlinear) of thermal conduction at the nanoscale. We review recent experiments and relevant calculations of quantum heat transfer in molecular junctions. We recount the Landauer approach, appropriate for the study of elastic (harmonic) phononic transport, and outline techniques that incorporate molecular anharmonicities. Theoretical methods are described along with examples illustrating the challenge of reaching control over vibrational heat conduction in molecules.
机译：我们审查了分子结几何形状中振动能量转移的研究，由桥接两个热贮存器，固体或大化学化合物的分子组成。该设置对分子电子，热电和纳米龙的应用具有兴趣，以及解决古典和量子传输理论中的基本问题。计算显示系统规模，紊乱，结构，维度，内部厌声，接触相互作用和量子相干效果是结合确定主要机制（弹道/扩散），有效性（差/差）和功能（线性/非线性）的因素）纳米级的热传导。我们审查了最近的实验和分子交叉点中量子传热的相关计算。我们叙述了Landauer方法，适用于研究弹性（谐波）声子输送，以及包含分子anharmonicities的轮廓技术。描述了理论方法和说明在分子中达到振动热传导的挑战的实施例。

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