https://www.selleckchem.com/pr....oducts/Mizoribine.ht
Carbon-based single-atom catalysts (SACs) have shown promising applications in the conversion of CO2 into CO. However, the deep reduction process for the production of high-value hydrocarbons is largely limited due to the weak activation of CO. Herein, on the basis of first-principles calculations, a simple coordination regulation method of the active site is proposed to improve the conversion of CO2. Taking NiN4 as an example, by introducing heteroatoms (B, C, O, P, and S atoms), we reveal that NiN3B can effectively capture *CO and
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