高性能半赫斯勒基热电器件的热惰性和欧姆接触界面材料

半赫斯勒器件的电极结合不理想会造成热损伤和效率损失，限制了其在高温下的实际使用。在这里，我们开发了一个热力学策略来筛选阻挡层元素。理论上，我们发现VIIB元素与半heuslers界面具有接近于零的界面反应能和较大的原子扩散势垒。实验证明，这种界面相是原子直接成键，在1073 K时具有较高的热稳定性，导致理想的欧姆接触。这种热惰性和欧姆接触界面使模块能够在高达1100 K的高温下稳定工作，从而释放出半赫斯勒的峰值性能，提高能量转换效率。主要记录了不同元素在半赫斯勒材料中的界面反应能和活化势垒、室温界面电阻率、界面附近微观结构以及器件输出性能，数据量17.6MB。

Poor electrode bonding in half-Heusler devices causes thermal damage and efficiency loss, restricting their practical high-temperature applications. Herein, we developed a thermodynamic strategy for screening barrier layer elements. Theoretically, we identified that Group VIIB elements possess near-zero interfacial reaction energy and high atomic diffusion barriers at half-Heusler interfaces. Experimental results demonstrate that this interfacial phase features direct atomic bonding, exhibits high thermal stability at 1073 K, and yields ideal ohmic contacts. Such thermal inertness and ideal ohmic contact interfaces enable the devices to operate stably at temperatures up to 1100 K, thereby unlocking the peak performance of half-Heusler materials and improving energy conversion efficiency. This dataset mainly records the interfacial reaction energy and activation barrier of various elements in half-Heusler materials, room-temperature interfacial resistivity, near-interfacial microstructures, and device output performance, with a total data size of 17.6 MB.

搜集汇总

背景与挑战

背景概述

该数据集聚焦于高性能半赫斯勒基热电器件，针对其高温下因界面问题导致的热损伤和效率损失，提出了热力学策略来筛选VIIB元素作为阻挡层，以改善界面反应能和原子扩散势垒，实现热惰性和欧姆接触界面，从而提升器件在高达1100K温度下的稳定性和能量转换效率。数据集记录了相关界面参数、微观结构和性能数据，总数据量为17.6MB。