Zimbovskaya Natalya A
Department of Physics and Electronics, University of Puerto Rico-Humacao, CUH Station, Humacao, Puerto Rico 00791, USA Institute for Functional Nanomaterials, University of Puerto Rico, San Juan, Puerto Ruco 00931, USA.
J Phys Condens Matter. 2014 Jul 9;26(27):275303. doi: 10.1088/0953-8984/26/27/275303. Epub 2014 Jun 17.
In this work we report the results of theoretical analysis of the effect of the thermal environment on the thermoelectric efficiency of molecular junctions. The environment is represented by two thermal phonon baths associated with the electrodes, which are kept at different temperatures. The analysis is carried out using the Buttiker model within the scattering matrix formalism to compute electron transmission through the system. This approach is further developed so that the dephasing parameters are expressed in terms of relevant energies, including the thermal energy, strengths of coupling between the molecular bridge and the electrodes and characteristic energies of electron-phonon interactions. It is shown that the latter significantly affect thermoelectric efficiency by destroying the coherency of electron transport through the considered system.
在这项工作中，我们报告了热环境对分子结热电效率影响的理论分析结果。该环境由与电极相关联的两个热声子库表示，电极保持在不同温度。分析是在散射矩阵形式体系内使用布蒂克尔模型进行的，以计算电子通过该系统的传输。这种方法得到了进一步发展，使得退相参数可以用相关能量来表示，包括热能、分子桥与电极之间的耦合强度以及电子 - 声子相互作用的特征能量。结果表明，后者通过破坏所考虑系统中电子传输的相干性，对热电效率有显著影响。
