Dual regulation of photocatalytic processes by intrinsic polarization and heterointerface engineering in MoSi 2 N 4 /MoSi 2 N 3 P Janus heterostructure

configuration exhibits type-II band alignment, more effective spatial separation of photogenerated electrons and holes, and a slightly longer e-h recombination lifetime. Nonadiabatic dynamics further reveal that polarization reversal modifies carrier-transfer pathways and weakens nonradiative recombination by reducing e-h wavefunction overlap. These findings demonstrate that intrinsic polarization and heterointerface engineering jointly regulate both static electronic structures and excited-state carrier dynamics, providing microscopic guidance for the design of Janus-based photocatalysts.