Most recently, it is proposed that the indirect band gap of bulk

Most recently, it is proposed that the indirect band gap of bulk MoS2 with a magnitude of approximately 1.2 eV transforms gradually to a direct band gap of approximately 1.8 eV in single-layer samples [8, 9], which is in contrast to pristine graphene with a band

gap of about 0 eV and few-layered h-BN with a band gap of about 5.5 eV [10, 11]. All these results imply that 2D MoS2 nanosheets have possible potential applications in electronics, optics, and semiconductor technologies as promising complements to graphene and h-BN [5–11]. Recently, based on first-principle calculations, lots of reports reveal the promising electronic properties of monolayer MoS2 nanosheets and nanoribbons, Small molecule library predicting their potential application in spintronic devices [12–15]. Calculation results indicate that MoS2-triple vacancy created in a single-layer MoS2 can give rise to a net magnetic moment, while other defects related with Mo and S atoms do not influence the nonmagnetic ground state [13]. Shidpour et al. performed the calculation on the sulfur vacancy-related magnetic properties on the S-edge with 50% and 100% coverage of MoS2 nanoribbons, showing that a vacancy on the S-edge with 50% coverage intensifies the magnetization of the edge of the MoS2 nanoribbon, but such a vacancy on the S-edge with 100%

coverage causes this magnetic property to disappear [14]. Most recently, for the MoS2 nanoribbons, Pan et al. and Li et al. predicted that S-terminated zigzag nanoribbons are the most stable even without hydrogen saturation.

PLX4032 MoS2 zigzag nanoribbons are metallic and ferromagnetic, and their conductivity may be semiconducting or half metallic by controlling the edge structures saturated with H atoms. The armchair nanoribbons are semiconducting and nonmagnetic, Baf-A1 with band gaps increased by the hydrogen saturation of their edge states [15, 16]. Inconsequently, Botello-Mendez et al. found that armchair nanoribbons could be metallic and exhibit a magnetic moment. Besides, when passivating with hydrogen, the armchair nanoribbons become semiconducting [17]. Though a lot of interesting magnetic properties of MoS2 nanosheets and nanoribbons had been predicted, the corresponding experimental realization on MoS2 nanosheets and nanoribbons has been at the nascent stage. The reason may be the difficulties in the synthesis methods because MoS2 tends to form zero-dimensional closed structures (fullerene-like nanoparticles) or one-dimensional nanotube structures during the experimental fabrications as well as lower crystalline structures [18–20]. What we know so far, the only experimental report on magnetism in MoS2 came from a study on MoS2 nanosheet film deposition on Si (100) and tantalum foil substrates synthesized using thermal evaporation method.

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