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.

中文翻译：

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分子交界处的振动热传递。

我们回顾了分子结几何学中振动能量转移的研究，该结构由桥接两个储热器，固体或大型化学化合物的分子组成。此设置对于分子电子，热电和纳米声子学中的应用以及解决经典和量子传输理论中的基本问题非常有用。计算表明，系统大小，无序，结构，尺寸，内部非谐，接触相互作用和量子相干效应是决定主要机制（弹道/扩散），有效性（差/好）和功能性（线性/非线性）的因素纳米级的热传导）。我们回顾了最近的实验和分子结中的量子传热的相关计算。我们讲述了兰道尔的方法，适用于弹性（谐波）声子传输的研究，并概述了包含分子非谐性的技术。描述了理论方法，并举例说明了如何控制分子中的振动热传导的挑战。