Charge Separation in Monolayer WSe2 by Strain Engineering: Implications for Strain-Induced Diode Action
Abstract
Strain-engineering band structure in transition-metal dichalcogenides (TMDC) is a promising avenue toward capabilities in optoelectronics. For example, controlling the flow of optically generated quasiparticles can be achieved by a localized strain field which reduces the bandgap and generates an energy-band gradient that funnels neutral excitons to the strain apex. It would be even more advantageous to mimic a diode’s internal field, where both conduction and valence bands bend in the same direction, to separate electrons and holes. This can be achieved if the strain in the TMDC layer lowers both the conduction band minimum as well as the valence band maximum during strain-induced band narrowing. Here, we have used density functional theory (DFT) calculations of monolayer WSe2 electronic structure under biaxial strain to show that WSe2 has this property. In this work, to test the band bending experimentally, we combined localized strain with electrostatic doping to follow photoluminescence from excitons and positive or negative trions. In unstrained WSe2, both positive and negative trion emissions dominate over excitons away from charge neutrality. In contrast, for strained areas, negative trions accumulate, while positive trion emission is near zero away from charge neutrality, indicating a lack of holes. Hence, strain bends both conductionmore »
- Authors:
-
- Boston Univ., MA (United States)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
- OSTI Identifier:
- 1896992
- Grant/Contract Number:
- AC05-00OR22725; SC0021064; 1945364
- Resource Type:
- Accepted Manuscript
- Journal Name:
- ACS Applied Nano Materials
- Additional Journal Information:
- Journal Volume: 5; Journal Issue: 10; Journal ID: ISSN 2574-0970
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; 2D materials; transition metal dichalcogenides (TMDCs); strain engineering; electrostatic-gating; exciton funneling; charge separation
Citation Formats
Chen, Zhuofa, Luo, Weijun, Liang, Liangbo, Ling, Xi, and Swan, Anna K. Charge Separation in Monolayer WSe2 by Strain Engineering: Implications for Strain-Induced Diode Action. United States: N. p., 2022.
Web. doi:10.1021/acsanm.2c03264.
Chen, Zhuofa, Luo, Weijun, Liang, Liangbo, Ling, Xi, & Swan, Anna K. Charge Separation in Monolayer WSe2 by Strain Engineering: Implications for Strain-Induced Diode Action. United States. https://doi.org/10.1021/acsanm.2c03264
Chen, Zhuofa, Luo, Weijun, Liang, Liangbo, Ling, Xi, and Swan, Anna K. Mon .
"Charge Separation in Monolayer WSe2 by Strain Engineering: Implications for Strain-Induced Diode Action". United States. https://doi.org/10.1021/acsanm.2c03264. https://www.osti.gov/servlets/purl/1896992.
@article{osti_1896992,
title = {Charge Separation in Monolayer WSe2 by Strain Engineering: Implications for Strain-Induced Diode Action},
author = {Chen, Zhuofa and Luo, Weijun and Liang, Liangbo and Ling, Xi and Swan, Anna K.},
abstractNote = {Strain-engineering band structure in transition-metal dichalcogenides (TMDC) is a promising avenue toward capabilities in optoelectronics. For example, controlling the flow of optically generated quasiparticles can be achieved by a localized strain field which reduces the bandgap and generates an energy-band gradient that funnels neutral excitons to the strain apex. It would be even more advantageous to mimic a diode’s internal field, where both conduction and valence bands bend in the same direction, to separate electrons and holes. This can be achieved if the strain in the TMDC layer lowers both the conduction band minimum as well as the valence band maximum during strain-induced band narrowing. Here, we have used density functional theory (DFT) calculations of monolayer WSe2 electronic structure under biaxial strain to show that WSe2 has this property. In this work, to test the band bending experimentally, we combined localized strain with electrostatic doping to follow photoluminescence from excitons and positive or negative trions. In unstrained WSe2, both positive and negative trion emissions dominate over excitons away from charge neutrality. In contrast, for strained areas, negative trions accumulate, while positive trion emission is near zero away from charge neutrality, indicating a lack of holes. Hence, strain bends both conduction and valence bands down, similarly to the band bending in a PN-diode depletion region, providing an opportunity to separate electrons and holes via localized strain.},
doi = {10.1021/acsanm.2c03264},
journal = {ACS Applied Nano Materials},
number = 10,
volume = 5,
place = {United States},
year = {Mon Oct 03 00:00:00 EDT 2022},
month = {Mon Oct 03 00:00:00 EDT 2022}
}
Works referenced in this record:
Strain tuning of optical emission energy and polarization in monolayer and bilayer MoS
journal, September 2013
- Zhu, C. R.; Wang, G.; Liu, B. L.
- Physical Review B, Vol. 88, Issue 12
Probing many-body interactions in monolayer transition-metal dichalcogenides
journal, February 2019
- Van Tuan, Dinh; Scharf, Benedikt; Wang, Zefang
- Physical Review B, Vol. 99, Issue 8
Charged excitons in monolayer : Experiment and theory
journal, August 2017
- Courtade, E.; Semina, M.; Manca, M.
- Physical Review B, Vol. 96, Issue 8
Strain-Induced Indirect to Direct Bandgap Transition in Multilayer WSe 2
journal, July 2014
- Desai, Sujay B.; Seol, Gyungseon; Kang, Jeong Seuk
- Nano Letters, Vol. 14, Issue 8
Strain-engineered artificial atom as a broad-spectrum solar energy funnel
journal, November 2012
- Feng, Ji; Qian, Xiaofeng; Huang, Cheng-Wei
- Nature Photonics, Vol. 6, Issue 12
Exciton and trion dynamics in atomically thin and : Effect of localization
journal, October 2016
- Godde, T.; Schmidt, D.; Schmutzler, J.
- Physical Review B, Vol. 94, Issue 16
Strain Engineering and Raman Spectroscopy of Monolayer Transition Metal Dichalcogenides
journal, July 2018
- Dadgar, A. M.; Scullion, D.; Kang, K.
- Chemistry of Materials, Vol. 30, Issue 15
Thermal Expansion, Anharmonicity and Temperature-Dependent Raman Spectra of Single- and Few-Layer MoSe 2 and WSe 2
journal, April 2014
- Late, Dattatray J.; Shirodkar, Sharmila N.; Waghmare, Umesh V.
- ChemPhysChem, Vol. 15, Issue 8
VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code
journal, October 2021
- Wang, Vei; Xu, Nan; Liu, Jin-Cheng
- Computer Physics Communications, Vol. 267
Atmospheric and Long-term Aging Effects on the Electrical Properties of Variable Thickness WSe 2 Transistors
journal, September 2018
- Hoffman, Anna N.; Stanford, Michael G.; Zhang, Cheng
- ACS Applied Materials & Interfaces, Vol. 10, Issue 42
Brightening of dark excitons in monolayers of semiconducting transition metal dichalcogenides
journal, January 2017
- Molas, M. R.; Faugeras, C.; Slobodeniuk, A. O.
- 2D Materials, Vol. 4, Issue 2
Strain engineering, efficient excitonic photoluminescence, and exciton funnelling in unmodified MoS2 nanosheets
journal, January 2017
- Mangu, Vijay Saradhi; Zamiri, Marziyeh; Brueck, S. R. J.
- Nanoscale, Vol. 9, Issue 43
Facile and quantitative estimation of strain in nanobubbles with arbitrary symmetry in 2D semiconductors verified using hyperspectral nano-optical imaging
journal, July 2020
- Darlington, Thomas P.; Krayev, Andrey; Venkatesh, Vishal
- The Journal of Chemical Physics, Vol. 153, Issue 2
Strain-induced semiconductor to metal transition in the two-dimensional honeycomb structure of MoS2
journal, November 2011
- Scalise, Emilio; Houssa, Michel; Pourtois, Geoffrey
- Nano Research, Vol. 5, Issue 1
Electrical suppression of all nonradiative recombination pathways in monolayer semiconductors
journal, May 2019
- Lien, Der-Hsien; Uddin, Shiekh Zia; Yeh, Matthew
- Science, Vol. 364, Issue 6439
Dynamic Exciton Funneling by Local Strain Control in a Monolayer Semiconductor
journal, August 2020
- Moon, Hyowon; Grosso, Gabriele; Chakraborty, Chitraleema
- Nano Letters, Vol. 20, Issue 9
Coulomb engineering of the bandgap and excitons in two-dimensional materials
journal, May 2017
- Raja, Archana; Chaves, Andrey; Yu, Jaeeun
- Nature Communications, Vol. 8, Issue 1
Local Strain Engineering in Atomically Thin MoS 2
journal, October 2013
- Castellanos-Gomez, Andres; Roldán, Rafael; Cappelluti, Emmanuele
- Nano Letters, Vol. 13, Issue 11
Bandgap Engineering of Strained Monolayer and Bilayer MoS2
journal, July 2013
- Conley, Hiram J.; Wang, Bin; Ziegler, Jed I.
- Nano Letters, Vol. 13, Issue 8, p. 3626-3630
Polarization Control of Deterministic Single-Photon Emitters in Monolayer WSe2
journal, January 2021
- So, Jae-Pil; Jeong, Kwang-Yong; Lee, Jung Min
- Nano Letters, Vol. 21, Issue 3
Valley engineering electron-hole liquids in transition metal dichalcogenide monolayers
journal, July 2022
- Barman Ray, Arnab; Liang, Kevin; Vamivakas, Anthony Nicholas
- Physical Review B, Vol. 106, Issue 4
Gold-Mediated Exfoliation of Ultralarge Optoelectronically-Perfect Monolayers
journal, March 2016
- Desai, Sujay B.; Madhvapathy, Surabhi R.; Amani, Matin
- Advanced Materials, Vol. 28, Issue 21
Biaxial strain tuning of the optical properties of single-layer transition metal dichalcogenides
journal, May 2017
- Frisenda, Riccardo; Drüppel, Matthias; Schmidt, Robert
- npj 2D Materials and Applications, Vol. 1, Issue 1
Enhanced Dielectric Screening and Photoluminescence from Nanopillar-Strained MoS2 Nanosheets: Implications for Strain Funneling in Optoelectronic Applications
journal, August 2021
- Vutukuru, Mounika; Ardekani, Hossein; Chen, Zhuofa
- ACS Applied Nano Materials, Vol. 4, Issue 8
Drift-dominant exciton funneling and trion conversion in 2D semiconductors on the nanogap
journal, February 2022
- Lee, Hyeongwoo; Koo, Yeonjeong; Choi, Jinseong
- Science Advances, Vol. 8, Issue 5
Optical generation of excitonic valley coherence in monolayer WSe2
journal, August 2013
- Jones, Aaron M.; Yu, Hongyi; Ghimire, Nirmal J.
- Nature Nanotechnology, Vol. 8, Issue 9
Dynamics and efficient conversion of excitons to trions in non-uniformly strained monolayer WS2
journal, February 2020
- Harats, Moshe G.; Kirchhof, Jan N.; Qiao, Mengxiong
- Nature Photonics, Vol. 14, Issue 5
Gate Tunable Dark Trions in Monolayer
journal, July 2019
- Liu, Erfu; van Baren, Jeremiah; Lu, Zhengguang
- Physical Review Letters, Vol. 123, Issue 2
Band Gap Engineering with Ultralarge Biaxial Strains in Suspended Monolayer MoS 2
journal, August 2016
- Lloyd, David; Liu, Xinghui; Christopher, Jason W.
- Nano Letters, Vol. 16, Issue 9
Interplay of excitonic complexes in -doped monolayers
journal, April 2020
- Borghardt, Sven; Kardynał, Beata E.; Tu, Jhih-Sian
- Physical Review B, Vol. 101, Issue 16
Revealing the biexciton and trion-exciton complexes in BN encapsulated WSe2
journal, September 2018
- Li, Zhipeng; Wang, Tianmeng; Lu, Zhengguang
- Nature Communications, Vol. 9, Issue 1
Raman-scattering measurements and first-principles calculations of strain-induced phonon shifts in monolayer MoS
journal, February 2013
- Rice, C.; Young, R. J.; Zan, R.
- Physical Review B, Vol. 87, Issue 8
Strain-induced direct–indirect bandgap transition and phonon modulation in monolayer WS2
journal, August 2015
- Wang, Yanlong; Cong, Chunxiao; Yang, Weihuang
- Nano Research, Vol. 8, Issue 8
High-performance multilayer WSe2 field-effect transistors with carrier type control
journal, July 2017
- Pudasaini, Pushpa Raj; Oyedele, Akinola; Zhang, Cheng
- Nano Research, Vol. 11, Issue 2
Impact of strain on the excitonic linewidth in transition metal dichalcogenides
journal, November 2018
- Khatibi, Zahra; Feierabend, Maja; Selig, Malte
- 2D Materials, Vol. 6, Issue 1
Efficient generation of neutral and charged biexcitons in encapsulated WSe2 monolayers
journal, September 2018
- Ye, Ziliang; Waldecker, Lutz; Ma, Eric Yue
- Nature Communications, Vol. 9, Issue 1
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
journal, April 2008
- Perdew, John P.; Ruzsinszky, Adrienn; Csonka, Gábor I.
- Physical Review Letters, Vol. 100, Issue 13
Exceptional Tunability of Band Energy in a Compressively Strained Trilayer MoS 2 Sheet
journal, July 2013
- Hui, Yeung Yu; Liu, Xiaofei; Jie, Wenjing
- ACS Nano, Vol. 7, Issue 8
Room-Temperature Electron–Hole Liquid in Monolayer MoS 2
journal, August 2019
- Yu, Yiling; Bataller, Alexander W.; Younts, Robert
- ACS Nano, Vol. 13, Issue 9
Inhibited nonradiative decay at all exciton densities in monolayer semiconductors
journal, July 2021
- Kim, Hyungjin; Uddin, Shiekh Zia; Higashitarumizu, Naoki
- Science, Vol. 373, Issue 6553
Defect and strain engineering of monolayer WSe2 enables site-controlled single-photon emission up to 150 K
journal, June 2021
- Parto, Kamyar; Azzam, Shaimaa I.; Banerjee, Kaustav
- Nature Communications, Vol. 12, Issue 1
Orbital analysis of electronic structure and phonon dispersion in MoS , MoSe , WS , and WSe monolayers under strain
journal, November 2013
- Chang, Chung-Huai; Fan, Xiaofeng; Lin, Shi-Hsin
- Physical Review B, Vol. 88, Issue 19
Raman Fingerprint of Pressure-Induced Phase Transitions in TiS3Nanoribbons: Implications for Thermal Measurements under Extreme Stress Conditions
journal, August 2020
- Mishra, K. K.; Ravindran, T. R.; Island, Joshua O.
- ACS Applied Nano Materials, Vol. 3, Issue 9
Self-Driven Metal-Semiconductor-Metal WSe2
Photodetector with Asymmetric Contact Geometries
journal, September 2018
- Zhou, Changjian; Raju, Salahuddin; Li, Bin
- Advanced Functional Materials, Vol. 28, Issue 45
Strain-tuning of the optical properties of semiconductor nanomaterials by integration onto piezoelectric actuators
journal, December 2017
- Martín-Sánchez, Javier; Trotta, Rinaldo; Mariscal, Antonio
- Semiconductor Science and Technology, Vol. 33, Issue 1
Strain engineering in single-, bi- and tri-layer MoS2, MoSe2, WS2 and WSe2
journal, July 2020
- Carrascoso, Felix; Li, Hao; Frisenda, Riccardo
- Nano Research, Vol. 14, Issue 6
Monolayer MoS 2 Strained to 1.3% With a Microelectromechanical System
journal, April 2019
- Christopher, Jason W.; Vutukuru, Mounika; Lloyd, David
- Journal of Microelectromechanical Systems, Vol. 28, Issue 2
Pressure-Induced Phase Transitions in Germanium Telluride: Raman Signatures of Anharmonicity and Oxidation
journal, April 2019
- Pawbake, Amit; Bellin, Christophe; Paulatto, Lorenzo
- Physical Review Letters, Vol. 122, Issue 14
Quasiparticle band structures and optical properties of strained monolayer MoS and WS
journal, April 2013
- Shi, Hongliang; Pan, Hui; Zhang, Yong-Wei
- Physical Review B, Vol. 87, Issue 15
Atomically-thin layered films for device applications based upon 2D TMDC materials
journal, October 2016
- McDonnell, Stephen J.; Wallace, Robert M.
- Thin Solid Films, Vol. 616