Molecular understanding and controlled functionalization of surfaces towards single-site catalysts and beyond
The rational design and development of functional materials, and catalysts in particular, requires a structure – property relationship approach, hence the need for strategies to control the generation of well-defined surface sites and for the development of characterization techniques with molecular-level precision. Here, we first discuss the method to control and understand the chemistry at the surface of materials towards the development of so-called single-site catalysts and show how this approach can bring about information about industrial catalysts and be used to tailoring multifunctional catalysts.[1,2] In this context, we will show how Dynamic Nuclear Polarization Surface Enhanced NMR spectroscopy can provide insightful information about a broad range of materials, which are not available by other characterization techniques. We will also how NMR chemical shifts can be used to predict the reactivity of molecules and how this molecular approach can be used to bridge the gap with other disciplines, such as Magnetic Resonance Imaging (MRI), data storage and microelectronics.