Designing reactivity of homogeneous and heterogeneous water-splitting catalysts using muti-dimensional site-selective spectroscopies

最近出现了类似于独特的生物水裂解辅因子的新型多相锰钙水裂解催化剂，但催化速率远远低于生物体系。这些新材料是低成本、高效率、易制造的大规模氢燃料生产的目标。要做到这一点，必须弥合这些材料和均相生物催化剂之间的性能差距。多维位选择性光谱分析，包括磁共振法和光共振法，有望为实现高催化效率所需的性质提供新的原子水平的理解，从而指导合理的催化剂设计。

New classes of heterogeneous manganese-calcium water splitting catalysts analogous to the unique biological water splitting cofactor have recently emerged but with far lower catalytic rates than seen for the biological system. These new materials are promising targets for large-scale hydrogen fuel production with low cost, high efficiency and ease of manufacture. To achieve this, the performance gap between these materials and the homogenous biological catalyst must be bridged. Multi-dimensional site-selective spectroscopies, including magneto/optical resonance methods which are aimed to be developed in this project are expected to provide new, atomic level understanding of properties needed to achieve high catalytic efficiency, thus guiding rational catalyst design.