Background: Recently, molecular electronics have attracted the attention of many researchers, both theoretically and applied electronics. Nanostructures have significant thermal properties, which is why they are considered as good options for designing a new generation of integrated electronic devices.

Objective: In this paper, the focus is on the thermoelectric properties of the molecular junction points with the electrodes. The influence of the number of atom contacts was also investigated on the thermoelectric properties of molecule located between two electrodes metallic. Therefore, the thermoelectric characteristics of the B₁₂N₁₂ molecule are investigated.

Methods: For this purpose, the Green’s function theory as well as mapping technique approach with the wide-band approximation and also the inelastic behaviour is considered for the electron-phonon interactions.

Results: It has been observed that the largest values of the total part of conductance as well as its elastic (G_(e,n)^max) depend on the number of atom contacts and are arranged as: G_(e,6)^max>G_(e,1)^max>G_(e,4)^max. Furthermore, the largest values of the electronic thermal conductance, i.e. K_p^max are seen to be in the order of K_(p,4)^max < K_(p,1)^max < K_(p,6)^max that the number of main peaks increases in four-atom contacts at (E< E_f).

Conclusion: Furthermore, it is represented that the thermal conductance shows an oscillatory behavior which is significantly affected by the number of atom contacts.

背景：近年来，分子电子学引起了许多研究人员的关注，无论是在理论上还是在应用电子学上。纳米结构具有显着的热性能，这就是为什么纳米结构被认为是设计新一代集成电子设备的好选择。

目的：在本文中，重点是与电极的分子结点的热电特性。还研究了原子接触数对位于两个金属电极之间的分子的热电特性的影响。因此，研究了B ₁₂ N ₁₂分子的热电特性。

方法：为此，考虑了格林函数理论以及宽带近似的映射技术方法以及电子-声子相互作用的非弹性行为。

结果：已经观察到，电导的总部分及其弹性的^最大值（G _（e，n）^max）取决于原子接触的数量，并排列为：G _（e，6）^max > G _（e，1）^max > G _（e，4）^max。此外，可以看到电子热导的^最大值，即K _p ^max约为K _（p，4）^max <K _（p，1）^max <K _（p，6）^max，即在（E <E _f）处四原子接触的主峰增加。

结论：此外，它表示热传导表现出振荡行为，该行为受原子接触数的显着影响。