Abstract
Using first-principles methods, we systematically investigate the electronic properties and atomic mechanism of the monolayer MoS2/WS2 homo-junction structure, which contains different phase structures, either the semiconducting hexagonal (H) structure or metallic trigonal (T) structure. Through tuning the size of the lateral homo-junction structure of either MoS2 or WS2, it can produce different boundaries which induce different phase transferred styles. More interestingly, the electronic structures of homo-junction structures can also be tuned by changing the size of the armchair and zigzag shapes of nanoribbons. The homo-junction structure of either MoS2 or WS2 exhibits alterable band structure and band edge position with the changing of the size. The strong dependence of the band offset on the sizes of the homo-junction monolayer also implicates a possible way of patterning quantum structures with size engineering.
Acknowledgements
This work was supported by the National Natural Science Foundation of China [grant number 21403109]. We also acknowledge support from the National Science Foundation of Jiangsu Province [grant number BK20140769].
Disclosure statement
No potential conflict of interest was reported by the authors.