论文标题
电子和声子通道在制冷中通过分子连接的相互作用
Interplay of electron and phonon channels in the refrigeration through molecular junctions
论文作者
论文摘要
由于其结构化的状态密度，分子连接提供了丰富的资源来过滤和控制电子和声子的流动。在这里，我们使用非平衡绿色功能理论（NEGF）中的密度基于功能的紧密结合方法（DFTB）方法来计算一些最近合成的寡苯基（OPE3）的平衡电流特性和耗散的热量（OPE3）。我们将这些分子连接的Peltier冷却能力分析为偏置电压的函数，并研究导致最佳冷却性能的参数。为了量化可达到的温度降低，提出了电流电路模型，其中关键电子和热传输参数进入。总体而言，我们的结果表明，所研究的OPE3设备与几个K的温度降低兼容。根据结果，简要讨论了一些促进用于冷却应用的高性能设备的策略。
Due to their structured density of states, molecular junctions provide rich resources to filter and control the flow of electrons and phonons. Here we compute the out of equilibrium current-voltage characteristics and dissipated heat of some recently synthesized oligophenylenes (OPE3) using the Density Functional based Tight-Binding (DFTB) method within Non-Equilibrium Green's Function Theory (NEGF). We analyze the Peltier cooling power for these molecular junctions as function of a bias voltage and investigate the parameters that lead to optimal cooling performance. In order to quantify the attainable temperature reduction, an electro-thermal circuit model is presented, in which the key electronic and thermal transport parameters enter. Overall, our results demonstrate that the studied OPE3 devices are compatible with temperature reductions of several K. Based on the results, some strategies to enable high performance devices for cooling applications are briefly discussed.
