| 引用本文格式: Yang Wei,Yang Zhi,Xu Li-Chun,Liu Rui-Ping. The sensing performance of bilayer β12- and χ3-borophenes for CO molecules [J]. J. At. Mol. Phys., 2026, 43: 031002 (in Chinese) [杨薇,杨致,徐利春,刘瑞萍. 双层β12-和χ3-硼烯对CO分子的传感性能研究 [J]. 原子与分子物理学报, 2026, 43(3): 031002] |
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| 双层β12-和χ3-硼烯对CO分子的传感性能研究 |
| The sensing performance of bilayer β12- and χ3-borophenes for CO molecules |
| 摘要点击 1034 全文点击 840 投稿时间：2025-01-04 修订日期：2025-01-24 |
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| DOI编号
10.19855/j.1000-0364.2026.031002 |
| 中文关键词
双层硼烯 吸附行为 电子性质 输运性质 传感性能 |
| 英文关键词
Bilayer borophene adsorption behaviors electronic properties transport properties sensing performance |
| 基金项目
山西省自然科学基金（202303021211027） |
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| 中文摘要
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| 由于双层（Bilayer，BL）β12-和χ3-硼烯具有不同的层间相互作用，而且比相应的单层结构更稳定，本文从理论上探索了CO分子在两种BL硼烯上的吸附行为，输运性质和传感性能. 无论是单分子吸附还是多分子吸附，结果表明CO分子在BL β12-和χ3-硼烯上采取了不同的吸附构型. 而且对于多分子吸附，我们发现这些CO分子可能形成分子二聚体(CO)2以提高吸附构型的稳定性，但是分子三聚体(CO)3或分子四聚体(CO)4则是不稳定的. 此外结果还表明BL β12-或χ3-硼烯的输运性质对吸附CO分子很敏感. 尽管BL β12-和χ3-硼烯具有不同的层间相互作用，但它们的传感性能相当，可用于CO分子检测. |
| 英文摘要
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| Since bilayer (BL) β12- and χ3-borophenes have different interlayer interactions and are more stable than the monolayer counterparts, in the present study we theoretically investigated the adsorption behaviors of CO molecules on the two BL borophenes, and the corresponding transport properties and sensing performance. For the monomolecular or multimolecular adsorptions, the obtained results indicate that the corresponding adsorption configurations on BL β12- and χ3-borophenes are different. In the multimolecular adsorptions, we found that these CO molecules tend to form molecular dimer (CO)2 to enhance the stabilities of the adsorption configurations, while molecular trimer (CO)3 or molecular tetramer (CO)4 was found to be unstable. Furthermore, the obtained results suggest that the transport properties of BL β12- or χ3-borophene are sensitive to the adsorptions of CO molecules. Although BL β12- and χ3-borophenes have different interlayer interactions, they have similar sensing performance and can be used to detect CO molecules. |
