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- W3134503256 abstract "Abstract Designing efficient catalysts with high activity and selectivity is desirable and challenging for CO 2 reduction reaction (CO 2 RR). Nickel phthalocyanine (NiPc) is a promising molecule catalyst for CO 2 RR. However, the pristine NiPc suffers from poor CO 2 adsorption and activation due to its electron deficiency of Ni–N 4 site, which leads to inferior activity and stability during CO 2 RR. Here, we develop a substituent-induced electronic localization strategy to improve CO 2 adsorption and activation, and thus catalytic performance. Theoretic calculations and experimental results indicate that the electronic localization on the Ni site induced by electron-donating substituents (hydroxyl or amino) of NiPc greatly enhances the CO 2 adsorption and activation, which is positively associated with the electron-donating abilities of substituents. Employing the optimal catalyst of amino-substituted NiPc to catalyze CO 2 into CO in flow cell can achieve an ultrahigh activity and selectivity of 99.8% at the current densities up to 400 mA cm -2 . This work offers a novel strategy to regulate the electronic structure of the active site by introducing substituents for highly efficient CO 2 RR." @default.
- W3134503256 created "2021-03-15" @default.
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- W3134503256 date "2021-01-16" @default.
- W3134503256 modified "2023-09-27" @default.
- W3134503256 title "Substituent-induced electronic localization of nickel phthalocyanine with enhanced electrocatalytic CO2 reduction" @default.
- W3134503256 doi "https://doi.org/10.21203/rs.3.rs-138056/v1" @default.
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