Despite the recognized potential of two-dimensional crystals in organic photovoltaics (OPVs), a comprehensive understanding of layer-dependent doping effects remains elusive. Here, we employed liquid-phase exfoliation to synthesize various layers of novel metal phosphorus tri-chalcogenide (TMPTC), Cd0.85PS3Li0.15H0.15. Molecular dynamics simulation shows that Cd0.85PS3Li0.15H0.15 tends to be distributed in the domain of D18. Although increasing the Cd0.85PS3Li0.15H0.15 layer can improve its ability to adsorb D18, it will also form a larger steric hindrance in the domain of D18. The 2L Cd0.85PS...
