Carbon Nitrides, Single-Atoms and Photocatalysis: A Route for a Solar Based Chemical Industry
Ivo Teixeira a, Gabriel Diab a, Luis Fernando Noleto a, Guilherme Rocha a, Izadora Reis a
a Department of Chemistry, Federal University of São Carlos, Rod. Washington Luís km 235 – SP, São Carlos, SP, 13565-905 Brazil
Proceedings of MATSUS Spring 2026 Conference (MATSUSSpring26)
D5 2D Layered Materials for Sustainable Energy Conversion and Storage
Barcelona, Spain, 2026 March 23rd - 27th
Organizers: Teresa Gatti, Paolo Giusto and Oleksandr Savatieiev
Invited Speaker, Ivo Teixeira, presentation 647
Publication date: 15th December 2025

The transition to a sustainable energy matrix faces significant challenges, such as grid instability due to the intermittency of renewable sources. While green hydrogen is pivotal for decarbonizing the chemical industry, direct solar-to-chemical conversion offers a compelling, albeit underestimated, alternative pathway to valorize abundant solar energy. This presentation posits that Poly(heptazine imide) (PHI), a class of ionic, crystalline carbon nitride semiconductors, can bridge the gap between solar harvesting and chemical synthesis. By leveraging a cation exchange strategy, we demonstrate how metal Single-Atom Catalysts (SACs)—such as Fe, Ni, and Mn—can be stabilized within the PHI framework to create precise active sites and tune band structures.

Here, a series of recent examples are presented, demonstrating that these tailored photocatalysts can be successfully employed to drive the synthesis of commodity chemicals. First, we address the production of Green Hydrogen, showing that Nickel-based PHI catalysts (Ni-PHI) can effectively replace costly platinum, challenging the economic feasibility barriers of conventional photocatalysis. Second, we illustrate the versatility of these materials in organic synthesis through the selective photoreduction of phenylacetylene to styrene under mild conditions. Finally, we report on the sustainable production of hydrogen peroxide (H₂O₂) using H-PHI and Na-PHI, utilizing glycerol as a sacrificial reagent. These examples collectively demonstrate that single-atom functionalized carbon nitrides can drive a "solar-to-chemical" industry, offering a disruptive solution to safeguard the transition toward a low-carbon economy.

This research was financially supported by the Brazilians funding agencies CAPES, CNPq (403064/2021 and 405752/2022), FAPESP (2020/14741-6, 2021/11162-8, 2024/00839-5 and 2021/12394-0) and FINEP (01.23.0645.00 and 01.23.0662.00).

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