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Orbital-Level-Directed Selective CO <sub>2</sub> -to-C <sub>2</sub> H <sub>4</sub> Photoreduction via Se Vacancies and Plasmonic Pt

Yixuan Shen, Tao Jia, Jiang Wu, Hao Zhou, Mingze Ou, Ping He, Zaiguo Fu, Fanghe Zhou, Jia Lin, Zhongwei Chen

2026ACS Nano9 citationsDOI

Abstract

The photocatalytic reduction of CO 2 to C 2 products with high selectivity under visible light remains a grand challenge primarily due to the high-energy barriers and kinetic complexities of C–C coupling. The current strategies primarily concentrate on augmenting the number of carriers to activate the multielectron transfer system, often overlooking the mechanism by which the coupling effect of catalyst surface energy influences intermediates. Herein, we report a strategy that synergizes vacancies and plasmonic Pt to steer the high energy of key intermediates for selective C 2 production. The constructed catalyst achieves an exceptional ethylene yield of 86.81 μmol·g –1 ·h –1 with near-unity selectivity (∼100%), significantly outperforming most reported systems. Concurrently, experimental findings indicate that the elevation of the substrate electron orbitals is positively correlated with the coupling strength of the CO intermediate. This work not only showcases a high-performance photocatalytic approach for the reduction of CO 2 to C 2 but also deciphers the fundamental role of electron orbital energy levels in steering the selectivity of C 2 products.

Topics & Concepts

SelectivityPhotocatalysisCatalysisPhotochemistryMaterials sciencePlasmonSubstrate (aquarium)Atomic orbitalElectron transferCoupling (piping)Yield (engineering)Molecular orbitalWork (physics)Kinetic energyChemical physicsEthyleneOptoelectronicsElectronVisible spectrumReduction (mathematics)NanotechnologyHOMO/LUMORedoxChemistryDegradation (telecommunications)Mechanism (biology)Plasmonic nanoparticlesCO2 Reduction Techniques and CatalystsAdvanced Photocatalysis TechniquesAmmonia Synthesis and Nitrogen Reduction
Orbital-Level-Directed Selective CO <sub>2</sub> -to-C <sub>2</sub> H <sub>4</sub> Photoreduction via Se Vacancies and Plasmonic Pt | Litcius