Adsorption of NO2 on WSe2: DFT and photoelectron spectroscopy studies

被引：14

作者：

Ovcharenko, R. ^{[1
]}

Dedkov, Yu ^{[2
,3
]}

Voloshina, E. ^{[1
]}

机构：

[1] Humboldt Univ, Inst Chem, D-10099 Berlin, Germany

[2] SPECS Surface Nano Anal GmbH, Voltastr 5, D-13355 Berlin, Germany

[3] IHP, Technol Pk 25, D-15236 Frankfurt, Germany

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2016年 / 28卷 / 36期

关键词：

TMD; adsorption; DFT; XPS; ARPES; GRAPHENE FILMS; BAND-STRUCTURE; GAS MOLECULES; DICHALCOGENIDES; MOLYBDENUM; MOS2;

D O I：

10.1088/0953-8984/28/36/364003

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

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.

引用

页数：6

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