N-type and p-type molecular doping on monolayer MoS₂

Abstract

Pressure controls electronic and optical properties of monolayer MoS2 with organic molecular adsorption.

Surface Charge Transfer Doping of MoS2 Monolayer by Molecules with Aggregation-Induced Emission Effect

“…This figure visually shows that electrons are transferred from MoS 2 to TPE-4NO 2 , and a large number of electrons are gathered around the molecule (red equivalent surface), while a large number of holes are left on MoS 2 (blue equivalent surface), indicating the transformation of MoS 2 into a p-type semiconductor. Figure 4 d,f shows the differential charge diagram of TPE-4OCH 3 after doping, with electrons shifting from TPE-4OCH 3 to MoS 2 and MoS 2 to an n-type semiconductor [ 38 ]. This result demonstrates the ability of these two molecules to dope the monolayer MoS 2 stably and effectively and transform MoS 2 into a p-type/n-type semiconductor.…”

Insights into Effects of Metal Cations on the Adsorption of Benzotriazole on Halloysite Nanotubes: An Experimental and DFT Study

“…Furthermore, the peaks of the adsorbed BTA (right panel of Figure ), particularly for those in the range of −6 to 0 eV, are significantly broadened compared to those of free BTA (left panel). It is well-known that the interaction between the adsorbate and surface is due to the attraction between the occupied states of the substrate and the unoccupied states of the adsorbate and vice versa. , In this work, this property was regulated by changing the energy gap between the valance band maximum (VBM) of the surfaces with the lowest unoccupied molecular orbital (LUMO) of free BTA. From the DOS data, the VBM–LUMO gaps are in the order 3.31 > 2.18 > 2.01 > 1.27 eV for the clean, Fe-, Zn-, and Cu-KLN(001) surfaces, respectively.…”

Bandgap recovery of monolayer MoS2 using defect engineering and chemical doping

“…2b, c ). According to DFT calculations, 29 the F4TCNQ molecule has a relatively weak adsorption on pristine MoS 2 surface. Therefore, we attribute this shift of Fermi energy to the interaction of F4TCNQ with the MoS 2 defect sites as further corroborated by TEM images in ESI (Fig.…”