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

Ming-Hui Chiu, Chendong Zhang, Hung-Wei Shiu, Chih-Piao Chuu, Chang-Hsiao Chen, Chih-Yuan S. Chang, Chia-Hao Chen, Mei-Yin Chou, Chih-Kang Shih, Lain-Jong Li

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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.
Original languageEnglish (US)
JournalNature Communications
Issue number1
StatePublished - Jul 16 2015

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KAUST Repository Item: Exported on 2020-10-01


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