Unveiling the key factor for the phase reconstruction and exsolved metallic particle distribution in perovskites

To significantly increase the amount of exsolved particles, the complete phase reconstruction from simple perovskite to Ruddlesden-Popper (R-P) perovskite is greatly desirable. However, a comprehensive understanding of key parameters affecting the phase reconstruction to R-P perovskite is still unexplored. Herein, we propose the Gibbs free energy for oxygen vacancy formation in Pr-0.5(Ba/Sr)(0.5)TO3-delta (T = Mn, Fe, Co, and Ni) as the important factor in determining the type of phase reconstruction. Furthermore, using in-situ temperature & environment-controlled X-ray diffraction measurements, we report the phase diagram and optimum 'x' range required for the complete phase reconstruction to R-P perovskite in Pr0.5Ba0.5-xSrxFeO3-delta system. Among the Pr0.5Ba0.5-xSrxFeO3-delta, (Pr0.5Ba0.2Sr0.3)(2)FeO4+delta - Fe metal demonstrates the smallest size of exsolved Fe metal particles when the phase reconstruction occurs under reducing condition. The exsolved nano-Fe metal particles exhibit high particle density and are well-distributed on the perovskite surface, showing great catalytic activity in fuel cell and syngas production. The complete phase reconstruction to Ruddlesden-Popper perovskite is greatly desirable to increase the exsolved particle distribution. Here, the authors report a key factor for the complete phase reconstruction in perovskites, leading to good catalytic activity in fuel cell and syngas production.

Automated summary

The researchers reported the Gibbs free energy for oxygen vacancy formation as a key factor for complete phase reconstruction in perovskites, leading to good catalytic activity in fuel cell and syngas production.