Fig. 5: Density functional theory (DFT) calculations. | Nature Communications

Fig. 5: Density functional theory (DFT) calculations.

From: Zn/Pt dual-site single-atom driven difunctional superimposition-augmented sonosensitizer for sonodynamic therapy boosted ferroptosis of cancer

Fig. 5

a–d The partial density of state (PDOS) of pure TiO2, Zn SATs, Pt SATs, and Zn/Pt SATs, respectively. e The differential charge for O2 adsorption on Zn/Pt SATs, the top- and side-view for the top and bottom illustration, respectively. The isosurface is 0.005 e/Å3, while the yellow and blue denote the electron accumulation and deficiency, respectively. f The concluded mechanisms of Zn/Pt SATs for activating O2 and H2O. Source data are provided as a Source Data file.

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