For next-generation energy harvesting thermoelectric (TE) devices based on organic/inorganic composites, the barrier energy at interfaces of components is critical in determining the TE performances, because the barrier energy can directly enhance Seebeck coefficient (S). We have succeeded to precisely tune the barrier energy in poly (3,4-ethylene dioxythiophene) polystyrene sulfonate (PEDOT:PSS)/Bi₂Te₃ nanowires (NWs) based organic/inorganic nanocomposite films through polar solvent vapor annealing (PSVA). Controlling a PSS/PEDOT ratio as a function of PSVA duration, work function of PEDOT:PSS was tuned, which eventually varied the barrier energy of nanocomposite thin films. Through optimization of Bi₂Te₃/PEDOT:PSS barrier energy, the S was maximized up to 47 μV/K. The electrical conductivity was also maximized simultaneously, because of the PSVA-induced π-π stacking among PEDOT chains and templating effect. Density functional theory calculated an optimal barrier energy (0.12 eV) which showed an excellent agreement with our experimentally determined optimal barrier energy (0.11 eV), at which we also maximized a power factor—an efficiency indicator of TE performance. Our feasible strategy on the manipulation of barrier energy in PEDOT:PSS/Bi₂Te₃ NWs through the PSVA can be extended to other organic/inorganic based TE composites, toward the realization of highly efficient TE devices.

对于基于有机/无机复合材料的下一代能量收集热电（TE）装置，组件界面处的势垒能量对于确定TE性能至关重要，因为势垒能量可以直接提高塞贝克系数（S）。我们已经成功地通过极性溶剂蒸汽退火（PSVA）精确地调整了基于聚（3,4-乙撑二氧噻吩）聚苯乙烯磺酸盐（PEDOT：PSS）/ Bi ₂ Te ₃纳米线（NWs）的有机/无机纳米复合薄膜的势垒能。通过控制PSS / PEDOT比值作为PSVA持续时间的函数，可以调整PEDOT：PSS的功函数，最终改变纳米复合薄膜的势垒能。通过优化Bi ₂ Te ₃/ PEDOT：PSS势垒能量，S最高可达到47μV/ K。由于PSVA诱导的PEDOT链之间的π-π堆积和模板效应，电导率也同时最大化。密度泛函理论计算出最佳势垒能量（0.12 eV），这与我们通过实验确定的最佳势垒能量（0.11 eV）表现出极佳的一致性，在此情况下，我们还最大化了功率因数-TE性能的效率指标。我们通过PSVA处理PEDOT：PSS / Bi ₂ Te ₃ NW中的势垒能量的可行策略可以扩展到其他基于有机/无机的TE复合材料，以实现高效的TE器件。