Materials Engineering and Mechanistic Understanding of Metal Halides for Solar Fuel Photogeneration
Lorenzo Malavasi a
a Department of Chemistry and INSTM, University of Pavia, Via T. Taramelli 1,4, 27100 Pavia, Italy
Proceedings of MATSUS Fall 2026 Conference (MATSUSFall26)
E5 From Materials Innovation to Sustainable Photo-Assisted Electrochemical Systems
Palma, Spain, 2026 October 26th - 30th
Organizers: Teresa Gatti and Isabella Poli
Invited Speaker, Lorenzo Malavasi, presentation 370
Publication date: 22nd July 2026

The direct conversion of solar energy into chemical fuels represents one of the most promising strategies for achieving a sustainable energy future. Among the emerging classes of photocatalysts, metal halides perovskites and perovskite inspired materials have recently attracted considerable attention owing to their outstanding optoelectronic properties, compositional versatility, and the possibility of tailoring their electronic structure through rational materials engineering. Nevertheless, their practical implementation in solar fuel generation still requires a deeper understanding of the relationship between composition, crystal structure, charge-carrier dynamics, and catalytic activity. This contribution will discuss recent advances in the design of metal halides for solar-driven hydrogen and ammonia production, highlighting how compositional engineering, dimensionality control, alloying strategies, defect chemistry, and heterostructure design can be exploited to optimize visible-light absorption, charge separation, and interfacial reaction kinetics. Particular attention will be devoted to lead-free perovskite-inspired materials based on Bi- and Sb-halides, whose electronic structure can be tuned through metal alloying to achieve significantly reduced band gaps while preserving their intrinsic chemical stability. The role of scalable vapor-phase deposition techniques for producing high-quality thin films and model systems for mechanistic investigations will also be discussed. Beyond materials development, emphasis will be placed on the mechanistic understanding of photocatalytic processes, combining advanced structural and spectroscopic characterization with activity studies to identify the key factors governing charge generation, transport, and surface reaction pathways. These insights provide fundamental design principles for the development of next-generation metal halide photocatalysts and contribute to establishing a rational framework for the realization of efficient, stable, and sustainable solar fuel technologies.

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