Defect passivation induced strong photoluminescence enhancement of rhombic monolayer MoS2

Growing high quality monolayer MoS2 with strong photoluminescence (PL) is essential to produce light-emitting devices on the atomic scale. In this study we show that rhombic monolayer MoS2 with PL intensity 8 times stronger than those of chemical vapour deposition (CVD)-grown triangular and mechanically exfoliated (ME) monolayer MoS2 can be prepared by using CVD. Both Raman and PL measurements indicate low density of defects in rhombic monolayer MoS2 with enhanced PL intensity. Density functional theory (DFT) calculations show that passivation of defects in MoS2 removes trapping gap states, which may finally result in PL enhancement.