2021
DOI: 10.1016/j.jallcom.2020.157776
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Genesis of magnetism in graphene/MoS2 van der Waals heterostructures via interface engineering using Cr-adsorption

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Cited by 53 publications
(13 citation statements)
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“…Moreover, the electronic properties of graphene/talc vdW heterostructure could be further tuned by elementally doping (e.g., Al and Fe) in talc. More recently, Singla et al [215] introduced a significant magnetic moment into graphene/MoS 2 heterostructure by absorbing Cr atom onto the graphene or MoS 2 surface. The magnetism is induced by the interactions between Cr atom (Cr-3D state) with C atom (C-2p state) and S atom (S-3p state), which is important for the advances of nanomagnetism.…”
Section: Other Methodsmentioning
confidence: 99%
“…Moreover, the electronic properties of graphene/talc vdW heterostructure could be further tuned by elementally doping (e.g., Al and Fe) in talc. More recently, Singla et al [215] introduced a significant magnetic moment into graphene/MoS 2 heterostructure by absorbing Cr atom onto the graphene or MoS 2 surface. The magnetism is induced by the interactions between Cr atom (Cr-3D state) with C atom (C-2p state) and S atom (S-3p state), which is important for the advances of nanomagnetism.…”
Section: Other Methodsmentioning
confidence: 99%
“…The plane-wave density functional theory (DFT) 48 package CASTEP 49 was used to obtain a deeper understanding of the optical properties of the title compound. The exchange–correlation potential 50 was treated by the Perdew–Burke–Ernzerhof (PBE) method in the generalized gradient approximation (GGA) and interactions between the ionic cores and electrons were described by norm-conserving pseudopotential (NCP).…”
Section: Methodsmentioning
confidence: 99%
“…To better describe the exchange–correlation effects of localized electrons, a hybrid functional (HSE06) was used for the electronic structure and linear optical properties calculations. For static χ (2) coefficients, the length-gauge formalism is used, , which has been proved in calculating the second-order susceptibility. , The DFT method has been demonstrated to be an effective method to calculate the electronic structure of materials. …”
Section: Methodsmentioning
confidence: 99%