| Cite this article as: Ren Shu-Ning,He Jian-Qiao,Huang Hai-Shen,Shen Guang-Xian,Wu Bo. Study on adsorption property of CO by Pt-decorated AlN nanotube [J]. J. At. Mol. Phys.(原子与分子物理学报), 2025, 42: 012005 (in Chinese) |
| Study on adsorption property of CO by Pt-decorated AlN nanotube |
| Hits 81 Download times 28 Received:March 31, 2023 Revised:April 27, 2023 |
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| DOI
10.19855/j.1000-0364.2025.012005 |
| Key Words
AlNNT First principles Density functional theory |
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| Abstract
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| The geometric structure, electronic properties and interaction with carbon monoxide (CO) of platinum-modified (5,5) aluminum nitride nanotubes were studied by first-principles density functional theory. The results show that the energy of platinum atom adsorbed on the top site of nitrogen atom on the surface of aluminum nitride nanotubes is the lowest. Four CO molecules can be adsorbed near the platinum atom, and the average adsorption energy is between 1.189−2.940 eV. The modification of platinum atoms effectively improves the adsorption capacity of aluminum nitride nanotubes for CO molecules. This study provides theoretical guidance for the experimental development of CO gas sensors with better performance. |
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