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Research Article

Band alignment and interlayer hybridization in monolayer organic/ WSe2 heterojunction

Yanping Guo1,§, Linlu Wu2,§, Jinghao Deng1,§, Linwei Zhou2, Wei Jiang1, Shuangzan Lu1, Da Huo1, Jiamin Ji1, Yusong Bai1, Xiaoyu Lin1, Shunping Zhang1, Hongxing Xu1, Wei Ji2 (), Chendong Zhang1()
Key Laboratory of Artificial Micro- and Nano-structures of Ministry of Education and School of Physics and TechnologyWuhan UniversityWuhan430027China
Department of Physics and Beijing Key Laboratory of Optoelectronic Functional Materials and Micro-Nano Devicesaaaaaaaaa,Renmin University of China,Beijing,100872,China;

§ Yanping Guo, Linlu Wu, and Jinghao Deng contributed equally to this work.

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Abstract

Semiconducting heterojunctions (HJs), comprised of atomically thin transition metal dichalcogenides (TMDs), have shown great potentials in electronic and optoelectronic applications. Organic/TMD hybrid bilayers hold enhanced pumping efficiency of interfacial excitons, tunable electronic structures and optical properties, and other superior advantages to these inorganic HJs. Here, we report a direct probe of the interfacial electronic structures of a crystalline monolayer (ML) perylene-3, 4, 9, 10-tetracarboxylic-dianhydride (PTCDA)/ML-WSe2 HJ using scanning tunneling microscopy, photoluminescence, and first-principle calculations. Strong PTCDA/WSe2 interfacial interactions lead to appreciable hybridization of the WSe2 conduction band with PTCDA unoccupied states, accompanying with a significant amount of PTCDA-to-WSe2 charge transfer (by 0.06 e/PTCDA). A type-Ⅱ band alignment was directly determined with a valence band offset of ~ 1.69 eV, and an apparent conduction band offset of ~ 1.57 eV. Moreover, we found that the local stacking geometry at the HJ interface differentiates the hybridized interfacial states.

Keywords

two-dimensional materialsorganic/transition metal dichalcogenide (TMD) heterojunctioninterlayer hybridizationband diagram

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Nano Research
Volume 15 Issue 2,
February 2022
Pages 1276-1281
DOI: 10.1007/s12274-021-3648-9
Cite this article:
Guo Y, Wu L, Deng J, et al. Band alignment and interlayer hybridization in monolayer organic/ WSe2 heterojunction. Nano Research, 2022, 15(2): 1276-1281. https://doi.org/10.1007/s12274-021-3648-9
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