Fig. 3: Mechanism of US-activated tandem catalysis for enhancing SDT and CDT. | Nature Communications

Fig. 3: Mechanism of US-activated tandem catalysis for enhancing SDT and CDT.

From: Ultrasound-activated piezo-hot carriers trigger tandem catalysis coordinating cuproptosis-like bacterial death against implant infections

Fig. 3

a Energy levels and b the corresponding density of states (DOS) of 16-layer stacked DHI and DA. c The transmission spectra of the 16-layer stacked DHI and DA-based transport architecture device. d The real space scattering states of the 16-layer stacked DHI and DA system at different energy levels. All the figures share the same color bar. e UV-Vis diffuse reflectance spectra of mBT. f VB-XPS spectra of mBT and CpBT. g Finite element method simulation for piezo-potential distribution on the surface of mBT. h The charge difference value achieved from natural population analysis of Cu ion (Cu+-Cu2+). Isosurface map of charge density difference computed from first principles for DHI-Cu+-Cu2, Dimer-Cu+-Cu2, Trimer-Cu+-Cu2, and Tetramer-Cu+-Cu2 (Isosurface in 0.003 e Å−3). Violet and yellow colors correspond to positive and negative differences, respectively. The silver gray sphere represented Cu ion. i The mechanism of US-activated tandem catalysis of SDT and CDT.

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