Elucidating protonation pathways in CO<sub>2</sub> photoreduction using the kinetic isotope effect.

Yin, Shikang; Zhou, Yiying; Liu, Zhonghuan; Wang, Huijie; Zhao, Xiaoxue; Zhu, Zhi; Yan, Yan; Huo, Pengwei · Nat Commun · 2024

basic_science · Level V

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Abstract

The surge in anthropogenic CO<sub>2</sub> emissions from fossil fuel dependence demands innovative solutions, such as artificial photosynthesis, to convert CO<sub>2</sub> into value-added products. Unraveling the CO<sub>2</sub> photoreduction mechanism at the molecular level is vital for developing high-performance photocatalysts. Here we show kinetic isotope effect evidence for the contested protonation pathway for CO<sub>2</sub> photoreduction on TiO<sub>2</sub> nanoparticles, which challenges the long-held assumption of electron-initiated activation. Employing isotopically labeled H<sub>2</sub>O/D<sub>2</sub>O and in-situ diffuse reflectance infrared Fourier transform spectroscopy, we observe H<sup>+</sup>/D<sup>+</sup>-protonated intermediates on TiO<sub>2</sub> nanoparticles and capture their inverse decay kinetic isotope effect. Our findings significantly broaden our understanding of the CO<sub>2</sub> uptake mechanism in semiconductor photocatalysts.