Journal
RSC ADVANCES
Volume 6, Issue 22, Pages 18319-18325Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5ra27871f
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Funding
- National Natural Science Foundation of China [11547153, 11404096]
- Youth Foundation of Henan University of Science and Technology [13350038]
- Innovation Team of Henan University of Science and Technology [2015XTD001]
- International Science and Technology Cooperation Projects of Henan Province [152102410035]
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Using first-principles calculations, we studied the electronic properties of quasi-2D MoS2/MX2 (MX2 = WS2, MoSe2 and WSe2) heterobilayers, focusing on engineering the band gap via application of in-plane biaxial strain and out-of-plane normal compressive strain (NCS). All heterobilayers show semiconducting characteristics with an indirect band gap except for the MoS2/WSe2 system which exhibits direct band gap character. The band gaps can all be widely tuned through strain and semiconductor-metal transitions can occur. In particular the direct band gap can be tuned and an appropriate compressive strain can tune the direct band gap of MoS2/WSe2 and MoS2/MoSe2, but MoS2/WS2 does not exhibit a direct band gap under any circumstances.
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