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您好卡老师,
文献的图在69楼,
图注是:2a) ESP of SA, AM, MESA and I3−;
文章中的解释是:“Through first-principles calculations, the electrostatic surface potential (ESP) of SA, AM, and MESA, as well as their interactions with polyiodides, were theoretically investigated to elucidate the confinement mechanism of DCHE on the shuttle effect of polyiodides. The computational results indicate that both the electrostatic potential of SA and I3− are negative, suggesting that SA within the ─COO− functional group exerts electrostatic repulsion on polyiodides. Driven by electrostatic repulsion, the polyiodides are effectively repelled from the surface of the DCHE and spatially confined to the cathode side (Figure 2a). The ESP value of AM is close to zero, indicating an electrically neutral surface with no significant electrostatic interaction with polyiodides. In contrast, the surface of MESA exhibits an electrostatic potential opposite to that of polyiodides, suggesting that the MESA can adsorb the polyiodide through Coulombic interaction. This adsorption effect further enhances the confinement of polyiodides by DCHE, effectively suppressing the shuttle effect of polyiodides. ”
这篇文章链接https://advanced.onlinelibrary.w ... 1002/adma.202500500
麻烦您卡老师~ |
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