Enhanced NO2 Gas Sensing Properties Based on Rb-Doped ZnO/In2O3 Heterojunctions at Room Temperature: A Combined DFT and Experimental Study
Abstract
:1. Introduction
2. Materials and Methods
2.1. Preparation of ZnO and In2O3 Heterojunctions
2.2. Preparation of Rb-Loaded ZnO/In2O3 Heterojunctions
2.3. Material Characterization
2.4. Fabrication of Sensors and Measurement
2.5. Periodic DFT Calculation Details
3. Results and Discussion
3.1. Characterization of the Samples
3.2. Gas-Sensing Performance
3.3. Gas-Sensing Mechanism
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
References
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Sensing Materials | Working Temperature | Concentration (ppm) | Response (Rg/Ra or Ra/Rg) | Response–Recovery Time | Reference |
---|---|---|---|---|---|
Au-porous ZnO nanowires | RT | 1 | 2.3 | Not present | [37] |
Pd-ZnO nanowires | 100 °C | 1 | 13.5 | 141/177 s | [38] |
ZnSe/ZnO | 200 °C | 8 | 10.42 | 98/141 s | [39] |
Pt-ZnO/PrGO | RT | 5 | 1.76 | 528/702 s | [40] |
In2O3/ZnO nanofibers | RT | 1 | 6.0 | 36/68 s | [41] |
ZnO/In2O3 | RT | 5 | 2.21 | 78/610 s | [42] |
ZnO/In2O3 | RT | 10 | 29.1 | 61/39 s | [12] |
2 mol% Rb-ZnO/In2O3 | RT | 1 | 24.2 | 55/21 s | This work |
Structure Configurations | Adsorption Sites | Eb (eV) |
---|---|---|
Rb-ZnO/In2O3 | Zntop | −0.094 |
Rb-ZnO/In2O3 | Otop | −0.325 |
Rb-ZnO/In2O3 | M | −0.386 |
Structure Configurations | Gas | Eads (eV) | Q (|e|) | d (Å) |
---|---|---|---|---|
ZnO/In2O3 | NO2 | −1.176 | 0.031 | 1.462 |
ZnO/In2O3 | C2H5OH | −0.186 | 0.001 | 3.122 |
ZnO/In2O3 | CH3COCH3 | −0.319 | 0.026 | 2.523 |
Rb-ZnO/In2O3 | NO2 | −0.642 | 0.480 | 2.339 |
Rb-ZnO/In2O3 | C2H5OH | −0.115 | 0.008 | 2.823 |
Rb-ZnO/In2O3 | CH3COCH3 | −0.278 | 0.005 | 2.837 |
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Yang, Y.; Cui, J.; Luo, Z.; Luo, Z.; Sun, Y. Enhanced NO2 Gas Sensing Properties Based on Rb-Doped ZnO/In2O3 Heterojunctions at Room Temperature: A Combined DFT and Experimental Study. Sensors 2024, 24, 5311. https://doi.org/10.3390/s24165311
Yang Y, Cui J, Luo Z, Luo Z, Sun Y. Enhanced NO2 Gas Sensing Properties Based on Rb-Doped ZnO/In2O3 Heterojunctions at Room Temperature: A Combined DFT and Experimental Study. Sensors. 2024; 24(16):5311. https://doi.org/10.3390/s24165311
Chicago/Turabian StyleYang, Yaning, Jiawen Cui, Zhihua Luo, Zhixin Luo, and Yanhui Sun. 2024. "Enhanced NO2 Gas Sensing Properties Based on Rb-Doped ZnO/In2O3 Heterojunctions at Room Temperature: A Combined DFT and Experimental Study" Sensors 24, no. 16: 5311. https://doi.org/10.3390/s24165311