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- W2583403646 abstract "The CO sensing and magnetic properties of pristine and metal-doped MoS2 monolayers (defined as MoS2-M, where M = Pd, Co, and Fe) were investigated by anchoring CO onto 2D nanosheets with first-principles calculations. Pristine MoS2 exhibits weak physisorption to CO, whereas MoS2-M monolayers show enhanced interaction with CO by forming a metalCO bond, and narrow band gaps and spontaneous magnetization upon CO adsorption. MoS2-Co and MoS2-Fe systems are ferromagnetic (FM) half metals (HM), whereas MoS2-Pd is a nonmagnetic (NM) metal. After CO adsorption, MoS2-Fe coverts to NM metal to maintain the unchanged ground states. Results indicate that MoS2-M systems are promising candidates for future applications in designing novel gas sensors, nanoelectronics, and spintronics." @default.
- W2583403646 created "2017-02-10" @default.
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- W2583403646 date "2017-03-01" @default.
- W2583403646 modified "2023-10-15" @default.
- W2583403646 title "Tuning CO sensing properties and magnetism of MoS2 monolayer through anchoring transition metal dopants" @default.
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- W2583403646 doi "https://doi.org/10.1016/j.comptc.2017.01.026" @default.
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