Stable supramolecular structure system to identify activity origin of CO2 electroreduction (IMAGE)
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(a) Comparison of different molecular structures and catalytic sites (Ni-TPYP, Ni-TPYP-1, Ni-TPP and TPYP), (b, c) Calculated free energy profile for CO2 reduction reaction toward the production of CO, (d) Simulated CO2-to-CO conversion reactive pathway over Ni-TPYP molecule
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