Fig. 5: DFT calculations regarding the ORR and OER mechanisms on the air electrodes of R-PCECs.

The energy barrier of the OER process on the a cubic C-BSCF (100) and b hexagonal H-BSCF (0001) surfaces. The energy barrier of the ORR process on the c cubic C-BSCF (100) and d hexagonal H-BSCF (0001) surfaces. Catalytic mechanism of the dual-phase synergistic e OER and f ORR on the surface of the hybrid C/H-BSCF.