Primitive and O‑Functionalized R‑Graphyne-like BN Sheet: Candidates for SO2 Sensor with High Sensitivity and Selectivity at Room Temperature
发布时间：2025-04-30
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- 发布时间：
- 2025-04-30
- 论文名称：
- Primitive and O‑Functionalized R‑Graphyne-like BN Sheet: Candidates for SO2 Sensor with High Sensitivity and Selectivity at Room Temperature
- 发表刊物：
- ACS Appl. Electron. Mater.
- 摘要：
- In recent years, the successful production of
various boron nitride allotropes has raised exciting prospects for 2D materials in the nano device area. Herein, two nove two-dimensional boron nitride allotropes, a rectangular graphyne-like sheet (R-BNyne) and an O-functionalized RBNyne nanosheet (R-BNOyne), are proposed and investigated by first-principle calculations. The structural stabilities
of metallic R-BNyne and indirect gap semiconducting RBNOyne are proved through the phonon dispersion and Molecular Dynamic calculations. Furthermore, the adsorptions of CH4, CO, CO2, SO2, and H2 on R-BNyne and RBNOyne have been calculated to explore the possibilities of being as gas sensors. The significant change in the current−voltage curve with and without SO2 adsorption on R-BNyne and RBNOyne implies that both of them could be used as candidates for SO2 superior sensor with high sensitivity and selectivity at room temperature. Our studies not only reveal a new solution to modulate the electronic properties of 2D nanosheets but are also helpful for designing novel boron nitride allotropes for expanding the possibilities of being as gas sensors as well as superior capturer of SO2 with high sensitivity.
- 合写作者：
- Tongtong Li, Cheng He,* and Wenxue Zhang
- 卷号：
- 2019, 1, 34−43
- 页面范围：
- 2019, 1, 34−43
- 是否译文：
- 否
- 发表时间：
- 2019-01-01