Adsorption of NO2 on WSe2: DFT and photoelectron spectroscopy studies

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 en...

Full description

Saved in:
Bibliographic Details
Published in:Journal of physics. Condensed matter 2016-09, Vol.28 (36), p.364003-364003
Main Authors: Ovcharenko, R, Dedkov, Yu, Voloshina, E
Format: Article
Language:English
Subjects:
adsorption
ARPES
DFT
TMD
XPS
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary: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 small 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.
ISSN:0953-8984
1361-648X
DOI:10.1088/0953-8984/28/36/364003