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Nat Commun. 2015 Jul 16;6:7666. doi: 10.1038/ncomms8666.

Determination of band alignment in the single-layer MoS2/WSe2 heterojunction.

Author information

1
Institute of Atomic and Molecular Sciences, Academia Sinica, No. 1, Roosevelt Road, Sec. 4, Taipei 10617, Taiwan.
2
Department of Physics, University of Texas at Austin, Austin, Texas 78712, USA.
3
National Synchrotron Radiation Research Center, Hsinchu 30076, Taiwan.
4
1] Institute of Atomic and Molecular Sciences, Academia Sinica, No. 1, Roosevelt Road, Sec. 4, Taipei 10617, Taiwan. [2] School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332, USA. [3] Deapartment of Physics, National Taiwan University, Taipei 10617, Taiwan.
5
1] Institute of Atomic and Molecular Sciences, Academia Sinica, No. 1, Roosevelt Road, Sec. 4, Taipei 10617, Taiwan. [2] Physical Sciences and Engineering Division, King Abdullah University of Science and Technology, Thuwal 23955-6900, Kingdom of Saudi Arabia.

Abstract

The emergence of two-dimensional electronic materials has stimulated proposals of novel electronic and photonic devices based on the heterostructures of transition metal dichalcogenides. Here we report the determination of band offsets in the heterostructures of transition metal dichalcogenides by using microbeam X-ray photoelectron spectroscopy and scanning tunnelling microscopy/spectroscopy. We determine a type-II alignment between MoS2 and WSe2 with a valence band offset value of 0.83 eV and a conduction band offset of 0.76 eV. First-principles calculations show that in this heterostructure with dissimilar chalcogen atoms, the electronic structures of WSe2 and MoS2 are well retained in their respective layers due to a weak interlayer coupling. Moreover, a valence band offset of 0.94 eV is obtained from density functional theory, consistent with the experimental determination.

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