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Detection of NO, NO2, H2S, and SO2 by SnSe2 gas sensor at room temperature: DFT simulation and experimental validation.

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Title: Detection of NO, NO2, H2S, and SO2 by SnSe2 gas sensor at room temperature: DFT simulation and experimental validation.
Authors: Jin, Yingyu1 (AUTHOR), Manoharan, Mathankumar1 (AUTHOR), Li, Pinghua1 (AUTHOR), Zhuang, Xuye1 (AUTHOR) zxye@sdut.edu.cn
Source: Journal of Materials Science: Materials in Electronics. Jan2026, Vol. 37 Issue 3, p1-17. 17p.
Abstract: To investigate the room-temperature gas sensing performance of two-dimensional SnSe2 toward various toxic and hazardous gases, the adsorption energies and electronic density of states (DOS) of SnSe2 upon interaction with four typical gases (NO, NO2, H2S, and SO2) were calculated based on density functional theory (DFT). SnSe2 gas sensors were fabricated via mechanical exfoliation and an all-dry transfer process, and their sensing properties were experimentally validated at room temperature. The results indicate that for the oxidizing gases NO and NO2, the adsorption energies on SnSe2 were -4.22 eV and -1.01 eV, respectively, corresponding to sensor responses of 5.1% and 7.5%, with response times of 678 s and 375 s. For the reducing gases H2S and SO2, the adsorption energies were -0.31 eV and -0.27 eV, respectively, yielding responses of 15% and 6% with response times of 367 s and 549 s. Notably, the sensor demonstrated satisfactory repeatability and 30-day stability for H2S detection, exhibiting a 1% response to 1 ppm H2S at 25 °C and 50% relative humidity (RH), along with an excellent linearity (R2 = 0.97) within the concentration range of 1 to 12.5 ppm. The experimental and theoretical results collectively validate the great potential of SnSe2 for gas sensing and highlight its unique room-temperature response behaviors to various gases. [ABSTRACT FROM AUTHOR]
Copyright of Journal of Materials Science: Materials in Electronics is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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DbLabel: Engineering Source
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  Label: Title
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  Data: Detection of NO, NO<subscript>2</subscript>, H<subscript>2</subscript>S, and SO<subscript>2</subscript> by SnSe<subscript>2</subscript> gas sensor at room temperature: DFT simulation and experimental validation.
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  Data: <searchLink fieldCode="AR" term="%22Jin%2C+Yingyu%22">Jin, Yingyu</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Manoharan%2C+Mathankumar%22">Manoharan, Mathankumar</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Li%2C+Pinghua%22">Li, Pinghua</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Zhuang%2C+Xuye%22">Zhuang, Xuye</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> zxye@sdut.edu.cn</i>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Materials+Science%3A+Materials+in+Electronics%22">Journal of Materials Science: Materials in Electronics</searchLink>. Jan2026, Vol. 37 Issue 3, p1-17. 17p.
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: To investigate the room-temperature gas sensing performance of two-dimensional SnSe2 toward various toxic and hazardous gases, the adsorption energies and electronic density of states (DOS) of SnSe2 upon interaction with four typical gases (NO, NO2, H2S, and SO2) were calculated based on density functional theory (DFT). SnSe2 gas sensors were fabricated via mechanical exfoliation and an all-dry transfer process, and their sensing properties were experimentally validated at room temperature. The results indicate that for the oxidizing gases NO and NO2, the adsorption energies on SnSe2 were -4.22 eV and -1.01 eV, respectively, corresponding to sensor responses of 5.1% and 7.5%, with response times of 678 s and 375 s. For the reducing gases H2S and SO2, the adsorption energies were -0.31 eV and -0.27 eV, respectively, yielding responses of 15% and 6% with response times of 367 s and 549 s. Notably, the sensor demonstrated satisfactory repeatability and 30-day stability for H2S detection, exhibiting a 1% response to 1 ppm H2S at 25 °C and 50% relative humidity (RH), along with an excellent linearity (R2 = 0.97) within the concentration range of 1 to 12.5 ppm. The experimental and theoretical results collectively validate the great potential of SnSe2 for gas sensing and highlight its unique room-temperature response behaviors to various gases. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Journal of Materials Science: Materials in Electronics is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1007/s10854-025-16560-7
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        Text: English
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      – TitleFull: Detection of NO, NO2, H2S, and SO2 by SnSe2 gas sensor at room temperature: DFT simulation and experimental validation.
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              M: 01
              Text: Jan2026
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              Y: 2026
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