RSA CE&C 2015-2021 Group descriptions

18 Research facilities The IMC group is home to a wide range of research facilities and equipment. The techniques are mostly oriented on the physico-chemical characterization of the surfaces of solid materials relevant to heterogeneous catalysis, photocatalysis and electrocatalysis. Researchers from other groups and external researchers can use the facilities when cooperating with the IMC group. For companies, we offer the possibility to use our facilities for service measurements. The group maintains several X-ray photoelectron spectrometers (XPS), among which a unique near-ambient pressure XPS was installed in 2017. Specific expertise is available in the field of in- situ and operando XPS, including combinations of XPS with visible light or the electrochemical excitation of samples. The XPS facilities are used by many researchers of the department but also by other catalysis groups in the Netherlands and beyond. The group is proficient in the synchrotron-based investigation of catalysts, including techniques such as X-ray absorption spectroscopy, X-ray scattering, X-ray diffraction, etc. Advanced in-situ/operando cells have been developed for investigations of solids under working conditions, including work under high temperatures and trickle flow. The NMR facility (Bruker 200 MHz and 500 MHz) has recently been upgraded using the most advanced NMR spectrometer console, a high-speed triple- resonance MAS probe and an operando MAS probe, providing unique opportunities in the area of the characterization of solid materials. Thegroupusesadvancedsoftware for thequantum-chemicalmodelingof inorganiccompounds, catalytic surfaces and surface reactivity. Inmany cases, specific software is developed that is used as add-ons to commercial software. Part of such software, developed in-house, is distributed as freeware and part is made available through specific software companies. The MKMCXX software suite for advanced microkinetic modeling has been developed in the IMC group over the last five years and is available as part of the Amsterdam Modeling Suite of SCM or as a standalone program. Prospects Development of the research field The research in Inorganic Materials and Catalysis lines up with the developments in the research field. The group is among the front-runners in areas such as the microkinetic modeling of complex reaction networks, zeolite catalysis, atomic-scale description of catalysis at metal- support interfaces, near-ambient pressure X-ray photoelectron spectroscopy and biomass valorization. The following novel topics with substantial potential are presently being addressed in new projects and/or research proposals: • Single-atom catalysis for maximum utilization degree of scarce (noble) metal resources • Stability of catalysts under practical conditions in reactors • Multiscale modeling of catalysis from the active site to the reactor • Machine learning methods in computational catalysis • Electrochemical synthesis of chemicals (in addition to energy storage) • Use of waste streams, including plastics and biobased waste, as a feedstock Viability Inorganic Materials and Catalysis’ activities started in 2009 and have grown into a very active group of experts with complementary knowledge and skills. Given the importance of inorganic materials and catalysis to reaching strategic development goals around sustainability, energy and a clean environment, the future looks promising with no concerns about the viability of the research program. The group has secured ample research funding through participation in a Gravitation program (until 2024) and involvement in the ARC CBBC (until 2027). These