The monolayer MoS2, possessing an advantage over graphene in that it exhibits a band gap whose magnitude is appropriate for solar applications, has attracted increasing attention because of its possible use as a photocatalyst. Herein, we propose a codoping strategy to tune the band structure of ...
Second harmonic generation in h-BN and MoS2 monolayers: Role of electron-hole interaction M. Grüning,Claudio Attaccalite - 《Physical Review B》 - 2014 - 被引量: 31 Two-terminal floating-gate memory wit...
Monolayer MoS2 was exfoliated by intercalation with lithium in 1986 [1]. The advantage of monolayer MoS2 complementary over graphene is the layer-dependent band-gap tunability. The band structure of graphene exhibits a linear dispersion and the charge carriers act as massless Dirac fermions [2]. ...
This section is devoted to the main properties of the electronic structure of MoS2. Based on first-principles calculations, the characteristics of the band structures of single-layer, double-layer and bulk MoS2 are discussed. In particular, we analyze the electronic band gaps and show ab initio ...
Monolayer MoS2Recently, the nonlinear optical processes study on monolayer MoS2 has revealed the existence of a trigonal warping in the band structure which distorts the Fermi surface from a circle at low energies to a triangle at higher energies. Here we theoretically demonstrate that the trigonal...
Of particular significance is the revelation that the versatile vacancies can modulate the band structure of the monolayer MoS2 , leading to a decrease of the bandgap and an obvious n-doping effect. These results are confirmed by scanning tunneling spectroscopy data as well as first-principles ...
interpreting it as the first excited state of theAexciton23. Excited exciton states are observed in monolayer WS237, but have not yet been reported for monolayer MoSe2. However, another band-structure calculation on similar material of monolayer MoS2indicates the existence of aB-trionic peak next...
Fig. 3: DFT calculations of dipole-allowed transitions in Fe:MoS2monolayers. a5 × 5 MoS2supercell with a single Fe dopant used to simulate Fe:MoS2, where Mo, S, and Fe atoms are shown as purple, yellow, and red spheres, respectively.bSpin-polarized band structure of Fe:MoS2. Spin...
However, modification of the graphene band structure occurs at rather larger binding energies, as the opening of several miniband-gaps is observed. These miniband-gaps resulting from the overlay of MoS2 and the graphene layer lattice impose a superperiodic potential. 展开 关键词: band alignment ...
Abstract In this work, the effect of biaxial strain on the electronic band structure of monolayers of MoS2 is investigated. The effective mass of carriers under different strain values is extracted and the achieved results are discussed. For the first time, we have assessed the effect of biaxial...