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- W4322709780 abstract "Doping is an efficient strategy for improving the photocatalytic activity and tuning the electronic structure of carbon nitride. Selenium-doped melon carbon nitride (Se-doped melon CN) as a promising photocatalyst for CO2 reduction is investigated using density functional theory calculations. In addition, considering the special role of a cocatalyst in CO2 reduction, we have explored the electronic and optical properties of Co4 clusters loaded on the Se-doped melon CN surface. After loading cobalt clusters, CO2 activation is significantly improved, with preference for the 8-electron product CH4, as the 2-electron products have higher desorption energies. Overall, this work provides a microscopic understanding of the CO2 reduction mechanism on Se-doped melon CN with cobalt as the co-catalyst." @default.
- W4322709780 created "2023-03-02" @default.
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- W4322709780 date "2023-01-01" @default.
- W4322709780 modified "2023-09-27" @default.
- W4322709780 title "Mechanism of CO<sub>2</sub> photoreduction by selenium-doped carbon nitride with cobalt clusters as cocatalysts" @default.
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- W4322709780 doi "https://doi.org/10.1039/d2cp05872c" @default.
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