MEtal-SIte engineering in Single-Atom Catalysis for efficient transfer hydrogenation

forthcoming

The semi-hydrogenation of unsaturated aldehydes to alcohols is a key step in fine chemical production. Existing catalysts based on noble metal nanoparticles, however, suffer from high cost, low selectivity, and deactivation, while the use of molecular hydrogen requires harsh conditions. Catalytic transfer hydrogenation (CTH) with renewable hydrogen donors like formic acid offers a safer and milder alternative, yet efficient, stable, and cost-effective catalysts remain elusive. In MESISAC, I will design non-noble metal single-atom catalysts (SACs) on covalent organic frameworks (COFs) with tunable functional groups to control metal coordination, targeting >80% conversion, >90% selectivity, and stability over ≥5 cycles. Detailed kinetic and mechanistic studies, including isotope labelling and structure-reactivity relationships, will clarify the reaction pathways. A distinctive feature of MESISAC is the integrated training program, which combines hands-on expertise in materials synthesis, advanced operando spectroscopy (XAS, NAP-XPS), and computational modeling, with the development of transferable skills such as project management, scientific communication, and interdisciplinary collaboration. This structured training, supported by secondments at the SOLARIS synchrotron and exposure to industrial partners, will accelerate my scientific independence, boosting my ability to coordinate interdisciplinary research projects while further strengthening my leadership, problem-solving, and innovation skills. The project will be hosted at the Department of Chemistry, Materials and Chemical Engineering of POLIMI, providing access to state-of-the-art synthesis, characterization, and catalytic testing facilities. By combining advanced materials design with in-depth mechanistic insight and comprehensive training, in MESISAC I aim to push the frontiers of sustainable catalysis for biomass upgrading and provide economically viable and environmentally friendly chemical processes.