Electronic and transport properties of Ti3C2O2-based strain sensor: A DFT-NEGF study
MXenes used as strain sensing materials have recently roused extensive interest due to their two-dimensional structures and outstanding electric properties. However, theoretical analysis from a quantum perspective is relatively scarce, which may hinder the development of this emerging field. Based o...
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| Format: | Article |
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AIP Publishing LLC
2024-11-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0193287 |
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| author | Kaiyi Weng Yawen Dai Neng Li |
| author_facet | Kaiyi Weng Yawen Dai Neng Li |
| author_sort | Kaiyi Weng |
| collection | DOAJ |
| description | MXenes used as strain sensing materials have recently roused extensive interest due to their two-dimensional structures and outstanding electric properties. However, theoretical analysis from a quantum perspective is relatively scarce, which may hinder the development of this emerging field. Based on density functional theory with non-equilibrium Green’s function, we explored the structure, electronic, and transport properties of Ti3C2O2 with and without biaxial strains. The Ti3C2O2 monolayer remained stable under 5% biaxial strain. The structures and electronic properties of Ti3C2O2 showed gradual evolutions tuned by strain. Moreover, we studied the intrinsic device properties by constructing two-probe devices. The current of the 5% biaxially strained device increased by about 80% compared with the unstrained device. Given the results mentioned earlier, the Ti3C2O2-based nanodevices have the prospect of being strain sensors. |
| format | Article |
| id | doaj-art-185dea1ebaa2446aaa6b8396c9abaacc |
| institution | OA Journals |
| issn | 2158-3226 |
| language | English |
| publishDate | 2024-11-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | AIP Advances |
| spelling | doaj-art-185dea1ebaa2446aaa6b8396c9abaacc2025-08-20T02:30:46ZengAIP Publishing LLCAIP Advances2158-32262024-11-011411115115115115-810.1063/5.0193287Electronic and transport properties of Ti3C2O2-based strain sensor: A DFT-NEGF studyKaiyi Weng0Yawen Dai1Neng Li2State Key Laboratory of Silicate Materials for Architectures, School of Science, Wuhan University of Technology, Wuhan 430070, ChinaState Key Laboratory of Silicate Materials for Architectures, School of Science, Wuhan University of Technology, Wuhan 430070, ChinaState Key Laboratory of Silicate Materials for Architectures, School of Science, Wuhan University of Technology, Wuhan 430070, ChinaMXenes used as strain sensing materials have recently roused extensive interest due to their two-dimensional structures and outstanding electric properties. However, theoretical analysis from a quantum perspective is relatively scarce, which may hinder the development of this emerging field. Based on density functional theory with non-equilibrium Green’s function, we explored the structure, electronic, and transport properties of Ti3C2O2 with and without biaxial strains. The Ti3C2O2 monolayer remained stable under 5% biaxial strain. The structures and electronic properties of Ti3C2O2 showed gradual evolutions tuned by strain. Moreover, we studied the intrinsic device properties by constructing two-probe devices. The current of the 5% biaxially strained device increased by about 80% compared with the unstrained device. Given the results mentioned earlier, the Ti3C2O2-based nanodevices have the prospect of being strain sensors.http://dx.doi.org/10.1063/5.0193287 |
| spellingShingle | Kaiyi Weng Yawen Dai Neng Li Electronic and transport properties of Ti3C2O2-based strain sensor: A DFT-NEGF study AIP Advances |
| title | Electronic and transport properties of Ti3C2O2-based strain sensor: A DFT-NEGF study |
| title_full | Electronic and transport properties of Ti3C2O2-based strain sensor: A DFT-NEGF study |
| title_fullStr | Electronic and transport properties of Ti3C2O2-based strain sensor: A DFT-NEGF study |
| title_full_unstemmed | Electronic and transport properties of Ti3C2O2-based strain sensor: A DFT-NEGF study |
| title_short | Electronic and transport properties of Ti3C2O2-based strain sensor: A DFT-NEGF study |
| title_sort | electronic and transport properties of ti3c2o2 based strain sensor a dft negf study |
| url | http://dx.doi.org/10.1063/5.0193287 |
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