Investigating porous catalysts with synchrotron X-rays and neutrons

Abstract

Porous catalysts have been widely used in the industry and are among the most promising candidates to facilitate the transformation to a sustainable society. Their rational design generally adopts the approach of molecular engineering, which relies on a deep understanding of the relations between atomic structures and catalytic properties. In recent years, synchrotron X-ray and neutron techniques have attracted great attention for probing the atomic structures of many functional materials. In this perspective, we look at recent developments in several synchrotron X-ray and neutron techniques for understanding the structure-property relations of porous catalysts at the atomic level. We extensively elucidate the study of both the static and dynamic structures of porous catalysts and their relation to catalytic properties. We highlight the limitations of the synchrotron X-ray and neutron techniques discussed for investigating porous catalysts and provide future research directions on this critical yet underdeveloped topic. Challenges and opportunities: • The rational design of porous catalysts requires a good understanding of the relations between atomic structures and catalytic properties. • With the fast evolution of instrumentation and data modeling, some widely available synchrotron X-ray and neutron techniques are being adopted to understand the structure-property relations of zeolite and MOF catalysts at the atomic level. This includes studying their static structures by SXRD, NPD, and XAS, and dynamic structures by INS and QENS, for deep insights into catalytic mechanisms. • There are still great challenges and opportunities in investigating porous catalysts with synchrotron X-rays and neutrons, including specialized techniques for better static structures; from dynamic structures to new catalysis chemistry; data modeling; in situ and time-resolved experiments; and from zeolites to MOFs and other emerging porous catalysts. Porous catalysts have been widely used in the industry and are among the most promising candidates to facilitate the transformation to a sustainable society. Their rational design generally adopts the approach of molecular engineering, which relies on a deep understanding of the relations between atomic structures and catalytic properties. In this perspective, several synchrotron X-ray and neutron techniques are detailed for providing such information. Research opportunities are proposed for this critical yet underdeveloped topic.