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

Hyunmin Kim, Chaesung Lim, Ohhun Kwon, Jinkyung Oh, Matthew T. Curnan, Hu Young Jeong, Sihyuk Choi (), Jeong Woo Han () and Guntae Kim ()
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Hyunmin Kim: Ulsan National Institute of Science and Technology (UNIST)
Chaesung Lim: Pohang University of Science and Technology (POSTECH)
Ohhun Kwon: University of Pennsylvania
Jinkyung Oh: Ulsan National Institute of Science and Technology (UNIST)
Matthew T. Curnan: Pohang University of Science and Technology (POSTECH)
Hu Young Jeong: Ulsan National Institute of Science and Technology (UNIST)
Sihyuk Choi: Kumoh National Institute of Technology
Jeong Woo Han: Pohang University of Science and Technology (POSTECH)
Guntae Kim: Ulsan National Institute of Science and Technology (UNIST)

Nature Communications, 2021, vol. 12, issue 1, 1-11

Abstract: Abstract 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 Pr0.5(Ba/Sr)0.5TO3-δ (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-δ system. Among the Pr0.5Ba0.5-xSrxFeO3-δ, (Pr0.5Ba0.2Sr0.3)2FeO4+δ – 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.

Date: 2021
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DOI: 10.1038/s41467-021-26739-1

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