Carbide formation as active catalyst species in hydrogenation reactions

负载型Pd纳米粒子(NPs)因其作为高活性加氢和氧化催化剂的能力而被广泛应用，这些过程在可持续化学中的应用具有重要意义。Pd NPs在这些反应中的演变性质变得越来越明显，在催化过程中观察到间隙氢化物、碳化物和(最近的)氮化物相。这些间隙结构很容易在催化反应中形成，并在决定催化剂活性和形成的产物的性质方面发挥关键作用。挑战在于更好地了解这些结构是如何形成的，它们在反应条件下的稳定性，以及如何利用它们来开发新的催化剂技术。PdCx相非常难以捉摸，最好在催化过程中进行研究。振动光谱学和同步加速器实验都非常适合这些类型的研究。该项目将在格拉斯哥进行FTIR光谱研究，并利用X射线吸收光谱(XAS)和非弹性中子散射(INS)实验。该博士学位将与南安普顿大学和贝尔法斯特女王大学的合作伙伴共同参与EPSRC资助的一个项目。博士生将作为这个更大的团队的一部分工作，这个团队包括几个PDRA和两个在合作大学的博士生。

Supported Pd nanoparticles (NPs) are used widely for their ability to act as highly active hydrogenation and oxidation catalysts; the application of these processes to sustainable chemistry is of significant importance. The evolving nature of Pd NPs during these reactions is becoming ever more apparent, with interstitial hydride, carbide, and (most recently) nitride phases being observed to form during catalysis. These interstitial structures form readily during catalytic reactions and can play a crucial role in determining both the catalyst activity and nature of the products formed. The challenge is to better understand how these structures are formed, their stability under reaction conditions, and how to harness them for new catalyst technologies. The PdCx phase is very elusive and is best studied during catalysis. Both vibrational spectroscopy and synchrotron experiments are ideally suited to these types of investigations. The project will employ FTIR spectroscopy studies in Glasgow and make use of both X-ray Absorption Spectroscopy (XAS) and Inelastic Neutron Scattering (INS) experiments. This PhD will be connected to an EPSRC funded project with partners in the University of Southampton and Queen's University Belfast. The PhD candidate will be expected to work as part of this larger team involving several PDRAs and 2 PhD students based at the partner universities.