纳米尺度下苯并噻吩并噻吩衍生物的热导率
Thermal conductivity of benzothieno-benzothiophene derivatives at the nanoscale
摘要：
我们通过扫描热显微镜研究了[1]苯并噻吩并[3，2-b][1]苯并噻吩（BTBT）和2，7-二辛基[1]苯并噻吩并[3，2-b][1]苯并噻吩（C8-BTBT-C8）的纳米级热导率。我们证明了沿层间方向的面外热导率是显著的，与C8-BTBT-C8（0.25 +/-0.13 W m-1 K-1）相比，BTBT（0.63 +/-0.12 W m-1 K-1）更大。这些结果得到了在相应分子晶体上进行的分子动力学计算（接近平衡分子动力学方法）的支持。计算指出沿3个结晶方向的显著热导率（类3D）值，其中结晶方向之间的各向异性因子对于BTBT低于1.8并且对于C8-BTBT-C8低于2.8，与这些材料的以二维特征为特征的电荷传输性质形成强烈对比。与实验一致，与C8-BTBT-C8相比，计算在BTBT中产生更大的值（分别为0.6-1.3 W m-1 K-1对0.3-0.7 W m-1 K-1）。纳米热阻的弱厚度依赖性与一个简单的分析模型是一致的。
英文摘要：
We study by scanning thermal microscopy the nanoscale thermal conductance of films (40 to 400 nm thick) of [1]benzothieno[3,2-b][1]benzothiophene (BTBT) and 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene (C8-BTBT-C8). We demonstrate that the out-of-plane thermal conductivity is significant along the interlayer direction, larger for BTBT (0.63 +/- 0.12 W m-1 K-1) compared to C8-BTBT-C8 (0.25 +/- 0.13 W m-1 K-1). These results are supported by molecular dynamics calculations (Approach to Equilibrium Molecular Dynamics method) performed on the corresponding molecular crystals. The calculations point to significant thermal conductivity (3D-like) values along the 3 crystalline directions, with anisotropy factors between the crystalline directions below 1.8 for BTBT and below 2.8 for C8-BTBT-C8, in deep contrast with the charge transport properties featuring a two-dimensional character for these materials. In agreement with the experiments, the calculations yield larger values in BTBT compared to C8-BTBT-C8 (0.6-1.3 W m-1 K-1 versus 0.3-0.7 W m-1 K-1, respectively). The weak thickness dependence of the nanoscale thermal resistance is in agreement with a simple analytical model.
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