fig9

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

Figure 9. (A) Schematic diagram of selective catalysis. (B) After CO2 adsorption at the interface, the comparison diagram of Bader charge transfer quantities for Pb2+, I-, PMs, PMs, and *CO2 in the intrinsic structure and PMs@MAPbI3. (C) The relationship diagram between various descriptors (such as dipole moment DM, electron effective mass me, exciton binding energy Ed, high-frequency dielectric constant ε, p-band center of Pb atoms εp, CO2 adsorption energy ECO2. (D) Thermal potential diagrams of all activated states G during CO2 reduction process.

Energy Materials
ISSN 2770-5900 (Online)
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