Molecular-scale junctions (MSJs) have been considered the ideal testbed for probing physical and chemical processes at the molecular scale. Due to nanometric confinement, charge and energy transport in MSJs are governed by quantum mechanically dictated energy profiles, which can be tuned chemically or physically with atomic precision, offering rich possibilities beyond conventional semiconductor devices. While charge transport in MSJs has been extensively studied over the past two decades, understanding energy conversion and transport in MSJs has only become experimentally attainable in recent years. As demonstrated recently, by tuning the quantum interplay between the electrodes, the molecular core, and the contact interfaces, energy processes can be manipulated to achieve desired functionalities, opening new avenues for molecular electronics, energy harvesting, and sensing applications. This Review provides a comprehensive overview and critical analysis of various forms of energy conversion and transport processes in MSJs and their associated applications. We elaborate on energy-related processes mediated by the interaction between the core molecular structure in MSJs and different external stimuli, such as light, heat, electric field, magnetic field, force, and other environmental cues. Key topics covered include photovoltaics, electroluminescence, thermoelectricity, heat conduction, catalysis, spin-mediated phenomena, and vibrational effects. The review concludes with a discussion of existing challenges and future opportunities, aiming to facilitate in-depth future investigation of promising experimental platforms, molecular design principles, control strategies, and new application scenarios.

中文翻译：

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分子尺度结中的能量转换和传输


分子尺度结 （MSJ） 被认为是在分子尺度上探测物理和化学过程的理想测试平台。由于纳米限制，MSJ 中的电荷和能量传输受量子力学决定的能量分布控制，这些能量分布可以通过原子精度进行化学或物理调整，提供超越传统半导体器件的丰富可能性。虽然 MSJ 中的电荷传输在过去二十年中得到了广泛的研究，但了解 MSJ 中的能量转换和传输直到最近几年才通过实验实现。正如最近所证明的那样，通过调整电极、分子核心和接触界面之间的量子相互作用，可以操纵能量过程以实现所需的功能，为分子电子学、能量收集和传感应用开辟了新的途径。本综述对 MSJ 及其相关应用中各种形式的能量转换和运输过程进行了全面概述和批判性分析。我们详细阐述了由 MSJs 中的核心分子结构与不同的外部刺激（如光、热、电场、磁场、力和其他环境线索）之间的相互作用介导的能量相关过程。涵盖的关键主题包括光伏、电致发光、热电、热传导、催化、自旋介导现象和振动效应。综述最后讨论了现有挑战和未来机遇，旨在促进未来对有前途的实验平台、分子设计原理、控制策略和新应用场景的深入研究。