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通过密度泛函理论解释揭示新型结构二维/零维MoS/SnS异质结构具有高度灵敏的亚皮克级一氧化氮气体传感能力。

Revealing a Highly Sensitive Sub-ppb-Level NO Gas-Sensing Capability of Novel Architecture 2D/0D MoS/SnS Heterostructures with DFT Interpretation.

作者信息

Kumar Utkarsh, Hsieh Han-Wei, Liu Yi-Chen, Deng Zu-Yin, Chen Kuen-Lin, Huang Wen-Min, Wu Chiu-Hsien

机构信息

Department of Physics, National Chung Hsing University, Taichung 402, Taiwan.

Institute of Nanoscience, National Chung Hsing University, Taichung 402, Taiwan.

出版信息

ACS Appl Mater Interfaces. 2022 Jul 20;14(28):32279-32288. doi: 10.1021/acsami.2c03173. Epub 2022 Jul 12.

DOI:10.1021/acsami.2c03173
PMID:35818995
Abstract

In this work, we use a chemical method to design novel 2D-material/0D-quantum dot (MoS/SnS) heterostructures. Furthermore, the unique 2D/0D heterostructure enhanced the NO gas-sensing capability 3 times and increased the sensing recoverability by more than 90%. Advanced characterization tools such as SEM, TEM, XRD, and AFM confirm the formation of MoS/SnS heterojunction nanomaterials. Using AFM data, the average thickness of the MoS layer was found to be 5 nm. The highest sensor response of 0.33 with good repeatability was observed at 250 ppb of NO. Sensing characterization reveals the ultra-fast response time, that is, 74 s, at 50 ppb of NO. The limit of detection for detecting NO was also found to be very low, that is, 0.54 ppb, by using MoS/SnS heterostructures. The theoretical calculations based on density functional theory well corroborated and quantified the intermolecular interaction and gas adsorption on the surface of MoS/SnS.

摘要

在这项工作中,我们采用化学方法设计了新型二维材料/零维量子点(MoS/SnS)异质结构。此外,独特的二维/零维异质结构将NO气敏能力提高了3倍,并将传感恢复率提高了90%以上。扫描电子显微镜(SEM)、透射电子显微镜(TEM)、X射线衍射仪(XRD)和原子力显微镜(AFM)等先进表征工具证实了MoS/SnS异质结纳米材料的形成。利用AFM数据,发现MoS层的平均厚度为5nm。在250ppb的NO浓度下,观察到最高传感器响应为0.33,具有良好的重复性。传感表征显示,在50ppb的NO浓度下,响应时间极快,即74秒。通过使用MoS/SnS异质结构,检测NO的检测限也非常低,即0.54ppb。基于密度泛函理论的理论计算很好地证实并量化了MoS/SnS表面的分子间相互作用和气体吸附。

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