Fig. 2: Cl-related TiO2 failure mechanism. | Nature Communications

Fig. 2: Cl-related TiO2 failure mechanism.

From: Substantial lifetime enhancement for Si-based photoanodes enabled by amorphous TiO2 coating with improved stoichiometry

Fig. 2

a, b Density of states of the melt-quenched amorphous TiO2 and TiO1.965Cl0.035 models calculated by DFT. The left insets are the polyhedral visualization of the structure of amorphous TiO2 and TiO1.965Cl0.035. c Schematics of a possible mechanism of pinhole formation in Cl-containing amorphous TiO2 films during PEC water oxidation.

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