First-Principles Guided Design of Pd-Decorated V<sub>2</sub>O<sub>5</sub>/Porous Silicon Composites for High-Performance NO<sub>2</sub> Sensing at Room Temperature
A Pd-decorated V<sub>2</sub>O<sub>5</sub>/porous silicon (Pd-V<sub>2</sub>O<sub>5</sub>/PSi) composite was synthesized via magnetron sputtering for enhanced NO<sub>2</sub> gas sensing. The material’s morphology and composition were systemat...
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2025-03-01
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| Series: | Nanomaterials |
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| author | Xiaoyong Qiang Yongliang Guo Zhipeng Wang Tao Chen Rui Zhang Weibin Zhou |
| author_facet | Xiaoyong Qiang Yongliang Guo Zhipeng Wang Tao Chen Rui Zhang Weibin Zhou |
| author_sort | Xiaoyong Qiang |
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| description | A Pd-decorated V<sub>2</sub>O<sub>5</sub>/porous silicon (Pd-V<sub>2</sub>O<sub>5</sub>/PSi) composite was synthesized via magnetron sputtering for enhanced NO<sub>2</sub> gas sensing. The material’s morphology and composition were systematically characterized, and its gas sensing performance was evaluated through comprehensive experimental measurements and first-principles calculations. The decoration of Pd nanoparticles significantly improved the sensing capabilities of the V<sub>2</sub>O<sub>5</sub>/PSi composite, particularly enhancing sensitivity and response/recovery characteristics. Experimental results revealed a 3.1-fold increase in response to specific NO<sub>2</sub> concentrations (ppm level) compared to the undecorated V<sub>2</sub>O<sub>5</sub>/PSi sensor. The composite exhibited rapid NO<sub>2</sub> response at room temperature with excellent selectivity, reproducibility, and long-term stability. First-principles calculations elucidated the structural, electronic, and adsorption properties of the Pd-V<sub>2</sub>O<sub>5</sub>/PSi composite, uncovering the gas sensing mechanism in NO<sub>2</sub> environments. This combined experimental and theoretical study provides valuable insights for developing advanced gas sensors and lays a foundation for optimizing metal oxide-based sensing materials. |
| format | Article |
| id | doaj-art-7dcd14f4a5e84a17b5c72020ff134d52 |
| institution | OA Journals |
| issn | 2079-4991 |
| language | English |
| publishDate | 2025-03-01 |
| publisher | MDPI AG |
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| series | Nanomaterials |
| spelling | doaj-art-7dcd14f4a5e84a17b5c72020ff134d522025-08-20T02:15:46ZengMDPI AGNanomaterials2079-49912025-03-0115751310.3390/nano15070513First-Principles Guided Design of Pd-Decorated V<sub>2</sub>O<sub>5</sub>/Porous Silicon Composites for High-Performance NO<sub>2</sub> Sensing at Room TemperatureXiaoyong Qiang0Yongliang Guo1Zhipeng Wang2Tao Chen3Rui Zhang4Weibin Zhou5College of Electronic Information and Automation, Tianjin University of Science and Technology, Tianjin 300457, ChinaCollege of Electronic Information and Automation, Tianjin University of Science and Technology, Tianjin 300457, ChinaCollege of Electronic Information and Automation, Tianjin University of Science and Technology, Tianjin 300457, ChinaCollege of Electronic Information and Automation, Tianjin University of Science and Technology, Tianjin 300457, ChinaCollege of Electronic Information and Automation, Tianjin University of Science and Technology, Tianjin 300457, ChinaCollege of Electronic Information and Automation, Tianjin University of Science and Technology, Tianjin 300457, ChinaA Pd-decorated V<sub>2</sub>O<sub>5</sub>/porous silicon (Pd-V<sub>2</sub>O<sub>5</sub>/PSi) composite was synthesized via magnetron sputtering for enhanced NO<sub>2</sub> gas sensing. The material’s morphology and composition were systematically characterized, and its gas sensing performance was evaluated through comprehensive experimental measurements and first-principles calculations. The decoration of Pd nanoparticles significantly improved the sensing capabilities of the V<sub>2</sub>O<sub>5</sub>/PSi composite, particularly enhancing sensitivity and response/recovery characteristics. Experimental results revealed a 3.1-fold increase in response to specific NO<sub>2</sub> concentrations (ppm level) compared to the undecorated V<sub>2</sub>O<sub>5</sub>/PSi sensor. The composite exhibited rapid NO<sub>2</sub> response at room temperature with excellent selectivity, reproducibility, and long-term stability. First-principles calculations elucidated the structural, electronic, and adsorption properties of the Pd-V<sub>2</sub>O<sub>5</sub>/PSi composite, uncovering the gas sensing mechanism in NO<sub>2</sub> environments. This combined experimental and theoretical study provides valuable insights for developing advanced gas sensors and lays a foundation for optimizing metal oxide-based sensing materials.https://www.mdpi.com/2079-4991/15/7/513NO<sub>2</sub> gas sensorPd decorationV<sub>2</sub>O<sub>5</sub>/PSi compositefirst-principles calculationsroom-temperature sensing |
| spellingShingle | Xiaoyong Qiang Yongliang Guo Zhipeng Wang Tao Chen Rui Zhang Weibin Zhou First-Principles Guided Design of Pd-Decorated V<sub>2</sub>O<sub>5</sub>/Porous Silicon Composites for High-Performance NO<sub>2</sub> Sensing at Room Temperature Nanomaterials NO<sub>2</sub> gas sensor Pd decoration V<sub>2</sub>O<sub>5</sub>/PSi composite first-principles calculations room-temperature sensing |
| title | First-Principles Guided Design of Pd-Decorated V<sub>2</sub>O<sub>5</sub>/Porous Silicon Composites for High-Performance NO<sub>2</sub> Sensing at Room Temperature |
| title_full | First-Principles Guided Design of Pd-Decorated V<sub>2</sub>O<sub>5</sub>/Porous Silicon Composites for High-Performance NO<sub>2</sub> Sensing at Room Temperature |
| title_fullStr | First-Principles Guided Design of Pd-Decorated V<sub>2</sub>O<sub>5</sub>/Porous Silicon Composites for High-Performance NO<sub>2</sub> Sensing at Room Temperature |
| title_full_unstemmed | First-Principles Guided Design of Pd-Decorated V<sub>2</sub>O<sub>5</sub>/Porous Silicon Composites for High-Performance NO<sub>2</sub> Sensing at Room Temperature |
| title_short | First-Principles Guided Design of Pd-Decorated V<sub>2</sub>O<sub>5</sub>/Porous Silicon Composites for High-Performance NO<sub>2</sub> Sensing at Room Temperature |
| title_sort | first principles guided design of pd decorated v sub 2 sub o sub 5 sub porous silicon composites for high performance no sub 2 sub sensing at room temperature |
| topic | NO<sub>2</sub> gas sensor Pd decoration V<sub>2</sub>O<sub>5</sub>/PSi composite first-principles calculations room-temperature sensing |
| url | https://www.mdpi.com/2079-4991/15/7/513 |
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