Tuning the metal–semiconductor contact nature in MXene-based van der Waals heterostructures
Two-dimensional (2D) transition metal carbides, nitrides, or carbonitrides (MXenes) have emerged as promising ultrathin materials for nanoelectronics and optoelectronics. However, the contact barrier at metal–semiconductor (MS) junctions still significantly limits the device's performance. Here...
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| Format: | Article |
| Language: | English |
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Elsevier
2023-11-01
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| Series: | Results in Physics |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379723008409 |
| _version_ | 1797615948233965568 |
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| author | Yu-Han Wu Jia-Cheng Luo Jing Zhang Zi-Cheng He Yu Lan Gui-Fang Huang Wangyu Hu Wei-Qing Huang |
| author_facet | Yu-Han Wu Jia-Cheng Luo Jing Zhang Zi-Cheng He Yu Lan Gui-Fang Huang Wangyu Hu Wei-Qing Huang |
| author_sort | Yu-Han Wu |
| collection | DOAJ |
| description | Two-dimensional (2D) transition metal carbides, nitrides, or carbonitrides (MXenes) have emerged as promising ultrathin materials for nanoelectronics and optoelectronics. However, the contact barrier at metal–semiconductor (MS) junctions still significantly limits the device's performance. Here, we propose a novel strategy—functionalizing accompanied with external electric fields—to tune the MS contact nature in MXene-based van der Waals (vdW) heterostructures, taking 2D Ti2C as an example, by means of first-principles calculations. Different Ti2CO2/Ti2CX2 (X = OH or S) vdW heterostructures are designed via functionalizing Ti2C metals to contact with 2D Ti2CO2. We reveal that OH functionalized vdW MS heterostructure (Ti2CO2/Ti2C(OH)2) can be tuned to the Ohmic contact owing to the strong interlayer interaction inducing a large number of interlayer transferred electrons; while for the sulfurized vdW MS heterostructure (Ti2CO2/Ti2CS2), its Schottky barrier height and contact type can be effectively tuned by external electric field due to the rather weak interlayer interaction. Our work paves a new way for the construction of 2D MXene-based vdW MS heterostructures and demonstrates the great potential of 2D MXenes in future nanoelectronics and optoelectronics. |
| first_indexed | 2024-03-11T07:34:13Z |
| format | Article |
| id | doaj.art-bfdd83bd517049e3a79271de38071d06 |
| institution | Directory Open Access Journal |
| issn | 2211-3797 |
| language | English |
| last_indexed | 2024-03-11T07:34:13Z |
| publishDate | 2023-11-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Results in Physics |
| spelling | doaj.art-bfdd83bd517049e3a79271de38071d062023-11-17T05:26:19ZengElsevierResults in Physics2211-37972023-11-0154107047Tuning the metal–semiconductor contact nature in MXene-based van der Waals heterostructuresYu-Han Wu0Jia-Cheng Luo1Jing Zhang2Zi-Cheng He3Yu Lan4Gui-Fang Huang5Wangyu Hu6Wei-Qing Huang7Department of Physics and Electronic Information Science, Nanyue College, Hengyang Normal University, Hengyang 421008, ChinaDepartment of Physics and Electronic Information Science, Nanyue College, Hengyang Normal University, Hengyang 421008, ChinaDepartment of Physics and Electronic Information Science, Nanyue College, Hengyang Normal University, Hengyang 421008, ChinaDepartment of Physics and Electronic Information Science, Nanyue College, Hengyang Normal University, Hengyang 421008, ChinaCollege of Physics and Electronic Engineering, Hengyang Normal University, Hengyang 421002, China; Corresponding authors.Department of Applied Physics, School of Physics and Electronics, Hunan University, Changsha 410082, ChinaSchool of Materials Science and Engineering, Hunan University, Changsha 410082, ChinaDepartment of Applied Physics, School of Physics and Electronics, Hunan University, Changsha 410082, China; Corresponding authors.Two-dimensional (2D) transition metal carbides, nitrides, or carbonitrides (MXenes) have emerged as promising ultrathin materials for nanoelectronics and optoelectronics. However, the contact barrier at metal–semiconductor (MS) junctions still significantly limits the device's performance. Here, we propose a novel strategy—functionalizing accompanied with external electric fields—to tune the MS contact nature in MXene-based van der Waals (vdW) heterostructures, taking 2D Ti2C as an example, by means of first-principles calculations. Different Ti2CO2/Ti2CX2 (X = OH or S) vdW heterostructures are designed via functionalizing Ti2C metals to contact with 2D Ti2CO2. We reveal that OH functionalized vdW MS heterostructure (Ti2CO2/Ti2C(OH)2) can be tuned to the Ohmic contact owing to the strong interlayer interaction inducing a large number of interlayer transferred electrons; while for the sulfurized vdW MS heterostructure (Ti2CO2/Ti2CS2), its Schottky barrier height and contact type can be effectively tuned by external electric field due to the rather weak interlayer interaction. Our work paves a new way for the construction of 2D MXene-based vdW MS heterostructures and demonstrates the great potential of 2D MXenes in future nanoelectronics and optoelectronics.http://www.sciencedirect.com/science/article/pii/S2211379723008409Schottky barrierMetal–semiconductor contactvan der Waals heterostructureElectric fieldFirst-principles calculations |
| spellingShingle | Yu-Han Wu Jia-Cheng Luo Jing Zhang Zi-Cheng He Yu Lan Gui-Fang Huang Wangyu Hu Wei-Qing Huang Tuning the metal–semiconductor contact nature in MXene-based van der Waals heterostructures Results in Physics Schottky barrier Metal–semiconductor contact van der Waals heterostructure Electric field First-principles calculations |
| title | Tuning the metal–semiconductor contact nature in MXene-based van der Waals heterostructures |
| title_full | Tuning the metal–semiconductor contact nature in MXene-based van der Waals heterostructures |
| title_fullStr | Tuning the metal–semiconductor contact nature in MXene-based van der Waals heterostructures |
| title_full_unstemmed | Tuning the metal–semiconductor contact nature in MXene-based van der Waals heterostructures |
| title_short | Tuning the metal–semiconductor contact nature in MXene-based van der Waals heterostructures |
| title_sort | tuning the metal semiconductor contact nature in mxene based van der waals heterostructures |
| topic | Schottky barrier Metal–semiconductor contact van der Waals heterostructure Electric field First-principles calculations |
| url | http://www.sciencedirect.com/science/article/pii/S2211379723008409 |
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