Fig. 6: Theorectical understanding of the photodeposition. | Nature Communications

Fig. 6: Theorectical understanding of the photodeposition.

From: In situ photodeposition of platinum clusters on a covalent organic framework for photocatalytic hydrogen production

Fig. 6

a The adsorption energy of PtCl62− on three sites of PY-DHBD-COF, PY-BPY-COF, and PY-BP-COF (Insert: the most stable adsorption configuration of PY-DHBD-COF-PtCl62−). The hole (lime) and electron (violet) distribution of S1 excited state on PY-DHBD-COF (b) and the complex PY-DHBD-COF-PtCl62− (c). S is the overlap integral of hole-electron distribution and D means the distance between centroid of hole and electron. The balls in different colors represent different atoms: H, white; C, dark gray; N, blue; O, red.

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