Experimental Strategy and Mechanistic View to Boost the Photocatalytic Activity of Cs<sub>3</sub>Bi<sub>2</sub>Br<sub>9</sub> Lead‐Free Perovskite Derivative by g‐C<sub>3</sub>N<sub>4</sub> Composite Engineering
Lidia Romani, Andrea Speltini, Carlo Nazareno Dibenedetto, Andrea Listorti, Francesco Ambrosio, Edoardo Mosconi, Angelica Simbula, Michele Saba, Antonella Profumo, Paolo Quadrelli, Filippo De Angelis, Lorenzo Malavasi
Abstract
Abstract The rational design of heterojunctions based on metal halide perovskites (MHPs) is an effective route to create novel photocatalysts to run relevant solar‐driven reactions. In this work, an experimental and computational study on the synergic coupling between a lead‐free Cs 3 Bi 2 Br 9 perovskite derivative and g‐C 3 N 4 is presented. A relevant boost of the hydrogen photogeneration by more than one order of magnitude is recorded when going from pure g‐C 3 N 4 to the Cs 3 Bi 2 Br 9 /g‐C 3 N 4 system. Effective catalytic activity is also achieved in the degradation of the organic pollutant with methylene blue as a model molecule. Based upon complementary experimental outputs and advanced computational modeling, a rationale is provided to understand the heterojunction functionality as well as the trend of hydrogen production as a function of perovskite loading. This work adds further solid evidence for the possible application of MHPs in photocatalysis, which is emerging as an extremely appealing and promising field of application of these superior semiconductors.