Perroni C A, Ninno D, Cataudella V
CNR-SPIN and Physics Department 'Ettore Pancini', Universita' degli Studi di Napoli 'Federico II', Complesso Universitario Monte S. Angelo, Via Cintia, I-80126 Napoli, Italy.
J Phys Condens Matter. 2016 Sep 21;28(37):373001. doi: 10.1088/0953-8984/28/37/373001. Epub 2016 Jul 15.
Focus of the review is on experimental set-ups and theoretical proposals aimed to enhance thermoelectric performances of molecular junctions. In addition to charge conductance, the thermoelectric parameter commonly measured in these systems is the thermopower, which is typically rather low. We review recent experimental outcomes relative to several junction configurations used to optimize the thermopower. On the other hand, theoretical calculations provide estimations of all the thermoelectric parameters in the linear and non-linear regime, in particular of the thermoelectric figure of merit and efficiency, completing our knowledge of molecular thermoelectricity. For this reason, the review will mainly focus on theoretical studies analyzing the role of not only electronic, but also of the vibrational degrees of freedom. Theoretical results about thermoelectric phenomena in the coherent regime are reviewed focusing on interference effects which play a significant role in enhancing the figure of merit. Moreover, we review theoretical studies including the effects of molecular many-body interactions, such as electron-vibration couplings, which typically tend to reduce the efficiency. Since a fine tuning of many parameters and coupling strengths is required to optimize the thermoelectric conversion in molecular junctions, new theoretically proposed set-ups are discussed in the conclusions.
综述的重点是旨在提高分子结热电性能的实验装置和理论方案。除了电荷电导外，这些系统中通常测量的热电参数是热功率，其通常相当低。我们回顾了与用于优化热功率的几种结构型相关的近期实验结果。另一方面，理论计算提供了线性和非线性区域中所有热电参数的估计值，特别是热电优值和效率，完善了我们对分子热电性的认识。因此，综述将主要关注不仅分析电子自由度，还分析振动自由度作用的理论研究。回顾了相干区域中热电现象的理论结果，重点关注在提高优值方面起重要作用的干涉效应。此外，我们回顾了包括分子多体相互作用（如电子 - 振动耦合）影响的理论研究，这些相互作用通常会降低效率。由于优化分子结中的热电转换需要对许多参数和耦合强度进行微调，因此在结论中讨论了新的理论提出的装置。
