J. Guerrero-Sánchez, Subhash Sharma, J. I. Paez Ornelas, Do Minh Hoat
, black phosphorus, GaN, and AlN introduces the necessary valence-band depth and polarization to meet both redox requirements. The experimental MoSSe/GaN system supports the theoretical predictions and adds multifunctional Rashba-Dresselhaus spin splitting and magnetic-field-enhanced charge dynamics to the list of photocatalytic descriptors. Collectively, these insights lay out a design roadmap for engineering Janus-based heterostructures that optimize water splitting under visible light.