Tuning the Energy Band Structure at Interfaces of the SrFe0.75Ti0.25O3-δ-Sm0.25Ce0.75O2-δ Heterostructure for Fast Ionic Transport.

Abstract

Interface engineering holds huge potential for enabling exceptional physical properties in heterostructure materials via tuning properties at the atomic level. In this study, a heterostructure built by a new redox stable semiconductor SrFe0.75Ti0.25O3-δ (SFT) and an ionic conductor Sm0.25Ce0.75O2 (SDC) is reported. The SFT-SDC heterostructure exhibits a high ionic conductivity >0.1 S/cm at 520 °C, which is 1 order of magnitude higher than that of bulk SDC. When it was applied into the fuel cell, the SFT-SDC can realize favorable electrolyte functionality and result in an excellent power density of 920 mW cm-2 at 520 °C. The prepared SFT-SDC heterostructure materials possess both electronic and ionic conduction, where electron states modulate local electrical field to facilitate ion transport. Further investigations to calculate the structure and electronic structure/state of SFT and SDC are done using density functional theory (DFT). It is found that the reconstruction of the energy band at interfaces is responsible for such enhanced ionic conductivity and cell power output. The current study about the perovskite-based heterostructure presents a novel strategy for developing advanced ceramic fuel cells.