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Figure 1

From: Novel niobium-doped titanium oxide towards electrochemical destruction of forever chemicals

Figure 1

Predicted trends in oxygen evolution overpotential relative to SHE based on DFT calculations. Higher loadings of Nb-doped TiO2 (NTO) lead to reduction of the critical descriptor \({\Delta }G_{O*} - {\Delta }G_{HO*}\) compared to pure rutile TiO2. This corresponds to an initial decrease in the magnitude of the OER overpotential prior to increasing again. The suppressed OER activity of 12.5 at.% NTO is predicted to approach that of Ti4O7, which was shown previously as a candidate for PFAS destruction.

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