Strain Engineering in Electrochemical Activity and Stability of BiFeO3 Perovskites

Chao-Jie Ma; Na Li; Li-Li Chen; Haosen Chen; Wei-Li Song

doi:10.1021/acs.jpclett.0c03768

Strain Engineering in Electrochemical Activity and Stability of BiFeO₃ Perovskites

J Phys Chem Lett. 2021 Apr 29;12(16):4104-4111. doi: 10.1021/acs.jpclett.0c03768. Epub 2021 Apr 22.

Authors

Chao-Jie Ma^{1

2

3}, Na Li^{1

2

3}, Li-Li Chen^{1

2}, Haosen Chen^{1

2}, Wei-Li Song^{1

2}

Affiliations

¹ Institute of Advanced Structure Technology, Beijing Institute of Technology, Beijing 100081, China.
² Beijing Key Laboratory of Lightweight Multi-functional Composite Materials and Structures, Beijing Institute of Technology, Beijing 100081, China.
³ School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081, China.

PMID: 33885308
DOI: 10.1021/acs.jpclett.0c03768

Abstract

Strain engineering is widely employed to manipulate the intrinsic relationship of activity and the crystal structure, while the mechanism and rational strategy toward high-performance devices are still under investigation. Here straining engineering is utilized to manipulate a series of a typical perovskite structures via introducing different types of heteroions (Bi_1-xM_xFeO₃, M = Ca²⁺ or Y³⁺ ion). The space group R3c in BiFeO₃ perovskites is found to be maintained with substituting a certain amount of heteroions at Bi³⁺ sites (<5%), while it would shift into either space groups P4mm (with Ca²⁺ substitute) or Pnma (with Y³⁺ substitute) beyond some critical doping amounts (>5%). Such a transformation is linked with the mismatched crystal strain induced by the heteroions substituted at Bi³⁺ sites, while the activity, stability, and energy storage capability of Bi_1-xM_xFeO₃ have been essentially varied. The results offer a strategy for manipulating stability and activity of perovskites in electrochemical energy conversion and storage.