Complex Electronic Structures for Thermoelectric Energy Materials

所有使用的能源中有三分之二在转换过程中损失为热量，这给能源可持续性带来了巨大压力。热电材料将废热转化为电能，可以解决这个问题。最近，已经合成了无数具有复杂电子结构的材料和化合物，为卓越的热电性能提供了可能性。该项目使用密度泛函理论结合先进的电子输运方法，研究最突出材料的潜力，针对适当的电子结构设计进行进一步优化。来自文献和内部的丰富实验数据将有助于理论验证。

Two thirds of all energy used is lost into heat during conversion processes, which puts enormous pressure on energy sustainability. Thermoelectric materials convert waste heat into electricity and can provide solutions towards this problem. Recently, a myriad of materials and compounds with complex electronic structures have been synthesized, offering possibilities for exceptional thermoelectric performance. The project uses Density Functional Theory coupled to advanced electronic transport methods, to examine the potential of the most prominent materials, targeting appropriate electronic structure designs for further optimization. The richness of experimental data, both from literature and in house, will aid towards theory validation.