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Defect Engineering in Single-Layer MoS 2 Using Heavy Ion Irradiation
Abstract
Transition metal dichalcogenides (TMDs) have attracted much attention due to their promising optical, electronic, magnetic, and catalytic properties. Engineering the defects in TMDs represents an effective way to achieve novel functionalities and superior performance of TMDs devices. However, it remains a significant challenge to create defects in TMDs in a controllable manner or to correlate the nature of defects with their functionalities. In this work, taking single-layer MoS 2 as a model system, defects with controlled densities are generated by 500 keV Au irradiation with different ion fluences, and the generated defects are mostly S vacancies. We further show that the defects introduced by ion irradiation can significantly affect the properties of the single-layer MoS 2 , leading to considerable changes in its photoluminescence characteristics and electrocatalytic behavior. As the defect density increases, the characteristic photoluminescence peak of MoS 2 first blueshifts and then redshifts, which is likely due to the electron transfer from MoS 2 to the adsorbed O 2 at the defect sites. The generation of the defects can also strongly improve the hydrogen evolution reaction activity of MoS 2 , attributed to the modified adsorption of atomic hydrogen at the defects.
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“the peak at 2530 cm−1 is assigned to the ν(S–H) stretching vibration of sulfhydryl (–SH) adsorbates on the Mo (100) surface”
From S-Edge-rich Mo x S y arrays vertically grown on carbon aerogels as superior bifunctional HER/OER electrocatalysts (2019) · cites this paper as [62]
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das Neves, M. F. F., Barêa, H. M., Perfecto, T. M., Bettini, J., de Lima, F. C., de Oliveira, R. F., Fazzio, A., Leite, E. R., & Santhiago, M. (2025) · Advanced Materials Technologies · doi:10.1002/admt.202501505 · Cited by 2
Low‐Temperature Growth of Wafer‐Scale MoS 2 by Chemical Vapor Deposition Using MoO 2 Cl 2 Sources
Zhang, C., Chen, X., Liu, J., Lu, X., Tang, S., Tan, C., & Wang, Z. (2025) · Advanced Materials Technologies · doi:10.1002/admt.202501792 · Cited by 2
Self-citationModulation of 1 MeV electron irradiation on ultraviolet response in MoS 2 FET
Li, H., Liu, C., Zhang, Y., Qi, C., Ma, G., Wang, T., Dong, S., & Huo, M. (2021) · Nanotechnology · doi:10.1088/1361-6528/ac1d79 · Cited by 2
Preparation of large-area uniform PdSe2 film and its application in ultrafast fiber laser
Xie, Z., Chen, J., Huang, J., Tao, L., & He, J. (2023) · Journal of Nonlinear Optical Physics & Materials · doi:10.1142/s0218863523400131 · Cited by 2
Electron Irradiation Engineering Modulated MoS 2 -Based Phototransistor
Zhang, J., Lian, Z., & Hou, P. (2023) · IEEE Transactions on Nuclear Science · doi:10.1109/tns.2023.3307938 · Cited by 1
Theoretical prediction of disulfide defects (S22−) in molybdenum disulfide monolayers
Ryzhikov, M. R., & Kozlova, S. G. (2025) · Journal of Molecular Modeling · doi:10.1007/s00894-025-06306-x · Cited by 1
Engineering surface defects on layered PtTe 2 and PdTe 2 with reacting methanol
Hsueh, J.-W., Kuo, L.-H., Chen, W., Chuang, C.-Y., Liu, C.-H., Kawakami, N., Chen, P., Kuo, C., Lue, C. S., Liu, B.-H., et al. (2025) · 2D Materials · doi:10.1088/2053-1583/ae18e3 · Cited by 1
Seo, M., Aji, L. B. B., Zepeda-Ruiz, L. A., Kim, S. C., Tzeng, Y., Chu, S., & Kucheyev, S. O. (2026) · ACS Applied Materials & Interfaces · doi:10.1021/acsami.5c25472 · Cited by 1
Rolled-up monolayer MoS2 moiré superlattices for enhanced hydrogen evolution reaction
Wang, A., Guo, S., Xie, Y., Cheng, H., Huang, D., He, H., Jiang, Y., Wang, M., Zhang, H., Li, L., et al. (2026) · Chemical Engineering Journal · doi:10.1016/j.cej.2026.178776 · Cited by 1
A non-equilibrium strategy for the general synthesis of single-atom catalystsPreprint
Li, Y., Xu, Y., Zhao, Y., Cui, M., Chen, X., 刘, Q. 倩. L., Zhang, J., Feng, C., & Zhao, Z. (2026) · arXiv (Cornell University) · doi:10.48550/arxiv.2601.12477 · Cited by 1
Self-citationIrradiation Effects of 1 MeV Electron on Monolayer MoS2 Field Effect Transistors
Zhang, Y., Ma, G., Zheng, X., Hua, Z., Zhou, J., Li, H., Liu, C., Wei, Y., Wang, T., Qi, C., et al. (2019) · IEEE International Symposium on the Physical and Failure Analysis of Integrated Circuits (IPFA) · doi:10.1109/ipfa47161.2019.8984891
Hu, Y., Huang, Z., Xu, S., Zhang, Z., Wang, Z., & Si, M. (2023) · SSRN Electronic Journal · doi:10.2139/ssrn.4647773
Facile Hot Gun Assisted Defect Engineering of Mos2 Electrocatalyst for Hydrogen Evolution ReactionPreprint
Badiger, J. G., Arunachalam, M., Kanase, R. S., Sayed, S. A., Ahn, K., & Kang, S. H. (2024) · SSRN Electronic Journal · doi:10.2139/ssrn.4900277
Enhanced NH3 Gas Sensing in SHI-Irradiated MoS2 Monolayers: A DFT Exploration
Kushwaha, A., Goel, N., & Sneha, S. (2024) · Frontiers in Optics · doi:10.1364/fio.2024.jd4a.51
Wang, C., Hao, X., Ding, L., Tan, C., Luo, G., Xie, X., Chen, Q., Ke, Z., & Wang, Z. (2024) · IEEE Transactions on Electron Devices · doi:10.1109/ted.2024.3508653
Mechanical Impacts of Random Defects in Monolayer MoS2 by Stochastic Finite Element Modeling
Chu, L., de Cursi, E. S., & Ji, Q. (2025) · ACS Applied Nano Materials · doi:10.1021/acsanm.4c06999
Metadata
- Authors
- He, Z., Zhao, R., Chen, X., Chen, H., Zhu, Y., Su, H., Huang, S., Xue, J., Dai, J., Cheng, S., Liu, M., Wang, X., & Chen, Y.
- Affiliations
- South China University of Technology (CN)
- Peking University (CN)
- China Institute of Nuclear Information & Economics, Beijing 100871, China
- Southern University of Science and Technology (CN)
- Pennsylvania State University (US)
- Georgia Institute of Technology (US)
- Corresponding author
- Wang, Xinwei
- Chen, Yan
- ORCID
- Venue
- ACS Applied Materials & Interfaces
- Publisher
- American Chemical Society (ACS)
- Published
- 2018-11-14
- Volume
- 10
- Issue
- 49
- Pages
- 42524-42533
- ISSN
- 1944-8244 (ISSN-L)
- 1944-8252
- OpenAlex
- W2901546117
- Cited by
- 213
- References
- 54
- Citations by year
- 2026: 14 · 2025: 26 · 2024: 43 · 2023: 26 · 2022: 35 · 2021: 28 · 2020: 22 · 2019: 19
- FWCI
- 6.44
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- ACS Applied Materials & Interfaces (publishedVersion)
- PubMed (publishedVersion)
- Funders
- Ministry of Education of the People's Republic of China (2018MS40)
- International Atomic Energy Agency (21063, F11020)
- Guangzhou Science and Technology Program key projects (201707010146)
- National Natural Science Foundation of China (11605063)
- Central Committee of the Communist Party of China
- Guangdong Province (2014ZT05N200)
- Topics
- Physical Sciences › Materials Science › Materials Chemistry › 2D Materials and Applications
- Physical Sciences › Materials Science › Materials Chemistry › Graphene research and applications
- Physical Sciences › Chemical Engineering › Catalysis › Catalysis and Hydrodesulfurization Studies
- Keywords
- monolayer MoS2, transition metal dichalcogenides, defect engineering, heavy ion irradiation, gold ion irradiation, sulfur vacancies, photoluminescence, hydrogen evolution reaction, electrocatalysis, defect density, oxygen adsorption, hydrogen adsorption
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