Density functional theory and experiments are employed to shed light on the edge structures of antidots in O etched single-layer MoS2. The equilibrium morphology is found to be the zigzag Mo edge with each Mo atom bonded to two O atoms, in a wide range of O chemical potentials. Scanning electron microscopy shows that the orientation of the created triangular antidots is opposite to the triangular shape of the single-layer MoS2 samples, in agreement with the theoretical predictions. Furthermore, edges induced by O etching turn out to be p-doped, suggesting an effective strategy to realize p-type MoS2 devices. Published by AIP Publishing.
Bibliographical noteKAUST Repository Item: Exported on 2020-10-01
Acknowledgements: This work was supported by the National Natural Science Foundation of China (Nos. 11504303, 11504169, 61575094, and 61136003), the National Basic Research Program of China (2015CB932200), the Fundamental Research Funds for the Central Universities (SWJTU2682016ZDPY10), and the Synergetic Innovation Center for Organic Electronics and Information Displays. The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).