Adsorption of NO2 on WSe2: DFT and photoelectron spectroscopy studies

Abstract

The electronic structure modifications of WSe2 upon NO2-adsorption at room and low temperatures were studied by means of photoelectron spectroscopy. We found only moderate changes in the electronic structure, which are manifested as an upward shift of the WSe2-related bands to the smaller binding energies. The observed effects are modelled within the density functional theory approach, where a weak adsorption energy of gas molecules on the surface of WSe2 was deduced. The obtained experimental data are explained as a valence bands polarisation effect, which causes their energy shift depending on the adsorption geometry and the formed dipole moment.

arXiv commentmanuscript and supplementary material

References in corpus (7)

• The electronic properties of graphene
• Graphene: Status and Prospects
• 30 inch Roll-Based Production of High-Quality Graphene Films for Flexible Transparent Electrodes
• Detection of Individual Gas Molecules Absorbed on Graphene
• Light-emitting diodes by bandstructure engineering in van der Waals heterostructures
• Graphene on transition-metal dichalcogenides: a platform for proximity spin-orbit physics and optospintronics
• Direct observation of spin-polarised bulk bands in an inversion-symmetric semiconductor