Exploring the effect of C6H5−x/FxBr (x = 0–3) passivating agent on surface properties at different termination ends: first principles

The influence of passivation molecules with different F atom contents at symmetric positions on different termination ends. The electron, carrier surface migration characteristics and theoretical PCE of MAPbI 3 @C 6 H 5− x /F x Br ( x = 0–3) were studied.