Fig. 3: Effect of Zr on the PtSA coordination environment. | Nature Communications

Fig. 3: Effect of Zr on the PtSA coordination environment.

From: Ultra-stable low-coordinated PtSA/CeZrO2 ordered macroporous structure integrated industrial-scale monolithic catalysts for high-temperature oxidation

Fig. 3

a Low-temperature Electron Paramagnetic Resonance (EPR) spectrum of CeO2 and CeZrO2 at 77 K under high vacuum, with an inside showing a DFT model of CeZrO2 and the formation energies of oxygen vacancies at different positions. b Raman spectra of aged PtSA/CeO2 and PtSA/CeZrO2. Extended X-ray Absorption Fine Structure (EXAFS) data fitting for aged PtSA/CeO2 (c) and PtSA/CeZrO2 (d), the inside illustration shows the PtSA coordination. In situ NAP-XPS Pt 4 f spectra for PtSA/CeZrO2 (e) and PtSA/CeO2 (f) before and after dosing C3H8 + O2. g Selected snapshots of the ab initio molecular dynamics (AIMD) trajectory for Pt single-atom coordination number over PtSA/CeO2 and PtSA/CeZrO2 under actual reaction conditions (1 C3H8 and 20 O2 molecules at 400 °C), the inside illustration shows the PtSA coordination.

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