CO- and H2S-adsorbed one-dimensional AlSi structures for gas sensing applications
The potential applications of low-dimensional materials continue to inspire significant interest among researchers worldwide. This study investigates the properties of one-dimensional AlSi monolayers, specifically AlSi nanoribbons, and their adsorption behaviour with CO and H2S molecules. The electr...
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| Format: | Article |
| Language: | English |
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The Royal Society
2025-01-01
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| Series: | Royal Society Open Science |
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| Online Access: | https://royalsocietypublishing.org/doi/10.1098/rsos.240774 |
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| _version_ | 1841555820392742912 |
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| author | Hoang Van Ngoc |
| author_facet | Hoang Van Ngoc |
| author_sort | Hoang Van Ngoc |
| collection | DOAJ |
| description | The potential applications of low-dimensional materials continue to inspire significant interest among researchers worldwide. This study investigates the properties of one-dimensional AlSi monolayers, specifically AlSi nanoribbons, and their adsorption behaviour with CO and H2S molecules. The electronic, magnetic and optical properties of these systems are calculated using density functional theory and the Vienna Ab initio Simulation Package. Results indicate that the structures remain relatively planar with negligible buckling heights. All three studied structures exhibit non-zero magnetic moments; notably, CO adsorption enhances the magnetic moment of the pristine AlSi nanoribbon, whereas H2S adsorption reduces it. Adsorption energy calculations reveal that CO exhibits stronger adsorption compared to H2S. Furthermore, a detailed investigation of the optical properties—including the real and imaginary parts of the dielectric function, absorption coefficient and electron–hole density—demonstrates the potential of these structures in nanotechnology applications, particularly for CO and H2S gas sensing. |
| format | Article |
| id | doaj-art-4063b0e712d742ee8259a62bad7b41e9 |
| institution | Kabale University |
| issn | 2054-5703 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | The Royal Society |
| record_format | Article |
| series | Royal Society Open Science |
| spelling | doaj-art-4063b0e712d742ee8259a62bad7b41e92025-01-08T00:06:24ZengThe Royal SocietyRoyal Society Open Science2054-57032025-01-0112110.1098/rsos.240774CO- and H2S-adsorbed one-dimensional AlSi structures for gas sensing applicationsHoang Van Ngoc0Institute of Southeast Vietnamese Studies, Thu Dau Mot University, Thu Dau Mot, Binh Duong, VietnamThe potential applications of low-dimensional materials continue to inspire significant interest among researchers worldwide. This study investigates the properties of one-dimensional AlSi monolayers, specifically AlSi nanoribbons, and their adsorption behaviour with CO and H2S molecules. The electronic, magnetic and optical properties of these systems are calculated using density functional theory and the Vienna Ab initio Simulation Package. Results indicate that the structures remain relatively planar with negligible buckling heights. All three studied structures exhibit non-zero magnetic moments; notably, CO adsorption enhances the magnetic moment of the pristine AlSi nanoribbon, whereas H2S adsorption reduces it. Adsorption energy calculations reveal that CO exhibits stronger adsorption compared to H2S. Furthermore, a detailed investigation of the optical properties—including the real and imaginary parts of the dielectric function, absorption coefficient and electron–hole density—demonstrates the potential of these structures in nanotechnology applications, particularly for CO and H2S gas sensing.https://royalsocietypublishing.org/doi/10.1098/rsos.240774adsorptionCOH2Sone-dimensional AlSi monolayerssensing applicationsconfigurations |
| spellingShingle | Hoang Van Ngoc CO- and H2S-adsorbed one-dimensional AlSi structures for gas sensing applications Royal Society Open Science adsorption CO H2S one-dimensional AlSi monolayers sensing applications configurations |
| title | CO- and H2S-adsorbed one-dimensional AlSi structures for gas sensing applications |
| title_full | CO- and H2S-adsorbed one-dimensional AlSi structures for gas sensing applications |
| title_fullStr | CO- and H2S-adsorbed one-dimensional AlSi structures for gas sensing applications |
| title_full_unstemmed | CO- and H2S-adsorbed one-dimensional AlSi structures for gas sensing applications |
| title_short | CO- and H2S-adsorbed one-dimensional AlSi structures for gas sensing applications |
| title_sort | co and h2s adsorbed one dimensional alsi structures for gas sensing applications |
| topic | adsorption CO H2S one-dimensional AlSi monolayers sensing applications configurations |
| url | https://royalsocietypublishing.org/doi/10.1098/rsos.240774 |
| work_keys_str_mv | AT hoangvanngoc coandh2sadsorbedonedimensionalalsistructuresforgassensingapplications |