A Combined NMR and Diffraction Approach to Study Pd Metal Nanoparticles Used in Industrial Catalysis

主管：助理约翰V.汉纳教授，华威大学物理系工业主管：彼得T.毕晓普博士，Johnson Matthey技术中心，Sonning common一种清晰地将局部（短程）结构与任何材料的功能联系起来的能力是任何催化系统的关键特征。与其他贵金属相比，钯的易氧化态、处理的灵活性和相对较低的成本使钯在许多催化驱动的工业和技术过程中成为可行的选择。钯金属最突出的催化应用包括脂肪酸的加氢反应、石化系统的裂解以及汽车尾气催化转化器中NOx/SOx的减少和其他温室气体排放的减少。该项目代表了105Pd固态核磁共振技术的发展，以及它对钯金属纳米颗粒系统研究的实施，这是这些催化驱动的工业和环境过程的关键。极大的105Pd四极参数和Knight位移（Kiso）是探测Pd纳米颗粒结构中微小结构畸变的灵敏探针；这些结构特征将与系统的电子结构和整体催化活性相关。从105Pd核磁共振技术中可以阐明许多令人惊讶的观察结果，这些观察结果似乎与从衍射技术中获得的较长距离平均信息相冲突。在这个项目中，将结合使用短程（105Pd固态核磁共振）和远程（XRD/中子衍射）技术，结合其他材料表征技术（振动光谱等）来研究Pd纳米颗粒系统，如海绵Pd、黑色Pd和有机覆盖/稳定Pd纳米颗粒，以评估影响催化活性的实际体积和表面结构特征。为了配合这些项目活动，博士生将花费大量时间与工业赞助商（庄信万丰）互动，以了解生产过程和催化活性的测量。该项目获得英国研究委员会（EPSRC）博士学位，为期3.5年，向本国/欧盟候选人开放。此外，该学生还可以选择进入华威大学/南洋理工大学（新加坡）联合博士项目，在该项目中，4年学生将有12-18个月的时间与南洋理工大学材料科学与工程学院进行学生交换。这一选择将导致这些参与机构之间授予联合博士学位。

Warwick Supervisor: Assoc. Prof. John V. Hanna, Department of Physics, University of WarwickIndustrial Supevisor: Dr Peter T. Bishop, Johnson Matthey Technology Centre, Sonning CommonAn ability to clearly relate local (short range) structure to the function of any material is a critical feature for any catalytic system. The accessible Pd oxidation states, its flexibility of handling and relatively lower cost in comparison to other precious metals makes Pd a viable option in many catalytically driven industrial and technological processes. The most prominent catalytic applications of Pd metal involve its utilisation in the hydrogenation reactions of fatty acids, the cracking of petrochemical systems, and the NOx/SOx reduction and the abatement of other Greenhouse gas emissions in automotive car exhaust catalytic converters.This project represents development of the 105Pd solid state NMR technique, and its implementation towards the study of Pd metal nanoparticle systems that are key to these catalytically-driven industrial and environmental processes. The very large 105Pd quadrupole parameters and the Knight shift (Kiso) are very sensitive probes of the small structural distortions within the Pd nanoparticle structure; these structural features will be correlated with the electronic structure and overall catalytic activity of the system. Many surprising observations are able to be elucidated from the 105Pd NMR technique, which appear to conflict with the longer range averaged information derived from diffraction techniques. In this project, the combined use of short range (105Pd solid state NMR) and longer range (XRD/neutron diffraction) techniques, in conjunction with other materials characterisation techniques (vibrational spectroscopies, etc.) will be used to study Pd nanoparticle systems such as Pd sponge, Pd black and organically capped/stabilised Pd nanoparticles to assess the real bulk and surface-like structural characteristics that influence catalytic activity. To compliment these project activities, the PhD student will spend a significant proportion of time interacting with the industrial sponsor (Johnson Matthey) to understand the production processes and measurement of catalytic activity.A full 3.5 year UK Research Council (EPSRC) PhD studentship is available for this project, open to home/EU candidates. Furthermore, there will be an option available for this student to enter the Warwick/NTU (Singapore) Joint PhD Programme where a 12-18 month portion of the 4 year studentship will be spent in a student exchange with NTU School of Materials Science & Engineering. This option would lead to the award of a joint PhD degree between these participating Institutions.