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Nano Research 2022, 15(2): 1276-1281 https://doi.org/10.1007/s12274-021-3648-9
Research Article | Issue | Published: 09 July 2021

Band alignment and interlayer hybridization in monolayer organic/ WSe2 heterojunction

Show Author's Information 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.

Keywords:
two-dimensional materials, organic/transition metal dichalcogenide (TMD) heterojunction, interlayer hybridization, band diagram
Topics:
Semiconductor junctions
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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Abstract Full text Electronic supplementary material About this article

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.


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Electronic supplementary material
About this article

Band alignment and interlayer hybridization in monolayer organic/ WSe2 heterojunction

Show Author's information 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.

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 materials, organic/transition metal dichalcogenide (TMD) heterojunction, interlayer hybridization, band diagram

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Publication history
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Acknowledgements

Publication history

Received: 13 April 2021
Revised: 21 May 2021
Accepted: 02 June 2021
Published: 09 July 2021
Issue date: February 2022

Copyright

© Tsinghua University Press and Springer-Verlag GmbH Germany, part of Springer Nature 2021

Acknowledgements

Acknowledgements

This work was supported by the National Key R&D Program of China (Nos. 2018FYA0305800 and 2018YFA0703700), the National Natural Science Foundation of China (Nos. 11774268 and 11974012), and the Strategic Priority Research Program of Chinese Academy of Sciences (No. XDB30000000). W. J. gratefully acknowledges financial support from the Fundamental Research Funds for the Central Universities, China, and the Research Funds of Renmin University of China (Nos. 16XNLQ01 and 19XNQ025). Calculations were performed at the Physics Lab of High-Performance Computing of Renmin University of China, Shanghai Supercomputer Center.

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