Dynamic Nuclear Polarization as a Novel Tool for the Characterization of Surfaces and Interfaces of Catalysts and Hybrid Materials

现代固体材料，如催化剂和杂化材料，往往在纳米和介观长度尺度上表现出复杂的层次化结构。因此，它们的性质和功能是表面和界面上的过程和相互作用的结果。到目前为止，材料科学家依靠一种纯粹的探索性方法来优化目标材料的性能。只有基于对原子过程、自组织机制以及表面和界面上的主要相互作用的详细了解，才有可能进行量身定制的设计。DNP核磁共振光谱学为解决这些问题提供了一种独特的方法。由于DNP增强，可以研究低至几个m2/g的表面和界面区域，甚至可以选择更重要的化学物种附近的表面和界面，从而从不需要的整体信号中分离出来。在拟议的项目中，我们的联盟计划通过将固态DNP核磁共振波谱应用于多相催化剂和无机-有机杂化材料，在现代材料科学的这一关键方面取得进展。此外，我们的目标是通过开发新的自由基系统、改进的极化转移方案，特别是四极核的极化转移方案，以及低温宽线探头来提高DNP技术的效率。为此，我们组成了一个联合体，结合了三个不同领域的互补专业知识，即合成有机化学、固体的EPR和核磁共振光谱。该联盟提供为EPR和核磁共振设备开发仪器的知识，并在表面和界面上的EPR和核磁共振波谱方面经验丰富。

Modern solid materials like catalysts and hybrid materials often exhibit complex hierarchical structures on nano- and mesoscopic length scales. Their properties and functions are thus a consequence of processes and interactions on surfaces and at interfaces. Until now material scientists rely on a purely explorative ap-proach for optimizing targeted material properties. A tailored design will be possible only based on a detailed knowledge about the atomistic processes, the self organisation mechanism and dominating interactions on surfaces and at interfaces. DNP NMR spectroscopy poses a unique way to address such questions. Due to the DNP enhancement surface and interface areas down to a few m2/g can be investigated and even more important surface and interface near chemical species can be selected and thus be separated from the unwanted bulk signals. Within the proposed project our consortium plans to make progress on this crucial aspect of modern material science by applying solid-state DNP NMR spectroscopy to heterogeneous catalysts and inorganic-organic hybrid materials. Furthermore, we aim at making DNP techniques more efficient by developing new radical systems, improved polarisation transfer schemes, especially for quadrupolar nuclei, and a low-temperature wide-line probe. For this we have formed a consortium combining the complementary expertise of three dif-ferent areas, namely synthetic organic chemistry, EPR and NMR spectroscopy of solids. The consortium provides knowledge on developing instrumentation for EPR and NMR equipment and is experienced with EPR and NMR spectroscopy on surfaces and at interfaces.