fig11

Machine learning prediction of small molecule passivators and their impacts on the passivation and photocatalytic performance of organic-inorganic hybrid perovskite interfaces

Figure 11. (A) Mechanism of CO2 reduction catalyzed by organic molecules. (B) Free energy diagram of MAPbI3 interface passivation for reducing CO2 with different PMs. (C) Path diagrams of CO2 reduction by different PMs. (a) is 4-MPy; (b) is 2-MPym(N); (c) is 5-Py; (d) is 2-Py. The black font represents the G energy required for the restoration path, and the red font represents the energy of Gmax throughout the entire path.

Energy Materials
ISSN 2770-5900 (Online)
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