†Department of Chemical and Biochemical Engineering, Georgia Institute of Technology, 311 Ferst Drive, Atlanta, Georgia 30332, United States.
‡School of Chemistry, University of Southampton, Southampton, Hampshire SO17 1BJ, United Kingdom.
J Am Chem Soc. 2015 Jul 8;137(26):8534-40. doi: 10.1021/jacs.5b03734. Epub 2015 Jun 29.
A combined electronic structure computational and X-ray absorption spectroscopy study was used to investigate the nature of the active sites responsible for catalytic synergy in Co-Ti bimetallic nanoporous frameworks. Probing the nature of the molecular species at the atomic level has led to the identification of a unique Co-O-Ti bond, which serves as the loci for the superior performance of the bimetallic catalyst, when compared with its analogous monometallic counterpart. The structural and spectroscopic features associated with this active site have been characterized and contrasted, with a view to affording structure-property relationships, in the wider context of designing sustainable catalytic oxidations with porous solids.
采用电子结构计算和 X 射线吸收光谱学的联合研究方法，研究了在 Co-Ti 双金属纳米多孔骨架中负责催化协同作用的活性中心的本质。在原子水平上探测分子物种的本质，导致了独特的 Co-O-Ti 键的鉴定，该键是双金属催化剂性能优于其类似的单金属对应物的场所。已经对该活性中心的结构和光谱特征进行了表征和对比，以期在更广泛的多孔固体可持续催化氧化设计的背景下，提供结构-性能关系。
