X-ray absorption and neutron spectroscopies of novel conducting thermoelectric MOFs

在这个项目中，学生将研究分子掺杂，成分和拓扑结构对多个长度尺度的影响，以进行金属有机框架（MOFs）作为热电应用的候选者。它们的模块化性质允许优化框架组成，功能和孔径，这对于能源和可持续性应用至关重要。我们最近成功地制备了具有前所未有的热电性能的导电MOFs。此外，观察到导电性从n型到p型的切换。掺杂的确切机制或确定哪种物质确切地对观察到的掺杂负责尚不清楚。为了解开这一机制，我们建议使用的组合表征技术（XAS/XES和非弹性中子散射（INS）），这将使我们能够进行详细的operando气体吸附研究，同时测量热电性能。

In this project the student will investigate the effects of molecular doping, composition and topology on multiple length scales in conducting Metal Organic Frameworks (MOFs) as candidates for thermoelectric applications. Their modular nature allows framework composition, functionality and pore size to be optimised which is paramount for applications in energy and sustainability. We have recently succeeded in preparing conducting MOFs with unprecedented thermoelectric performance. Furthermore, a switch in conductivity from n-to p-type was observed. The exact mechanism of doping or identification of which species is exactly responsible for the observed doping is unknown. To unravel this mechanism we propose to use a combination of characterization techniques (XAS/XES and inelastic neutron scattering (INS)) that will allow us carry out detailed operando gas adsorption studies whilst simultaneously measuring the thermoelectric properties.