Sensing-performance improvement of 2D MoSH based gas sensors for detecting NO, NO2, and NH3 gas molecules

IF 5.1 2区材料科学 Q1 MATERIALS SCIENCE, CERAMICS

Ceramics International Pub Date : 2024-09-24 DOI:10.1016/j.ceramint.2024.09.313

Wensheng Zhou , Guogang Liu , Tong Chen , Cheng Luo , Danfeng Qin , Xianbo Xiao

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引用次数: 0

Abstract

Nitrogen group oxide is one of the major pollutants in the air, and its accurate and rapid detection is essential for environmental protection and human health. Therefore, it is of great significance to develop high-performance new line sensor for Nitrogen group oxide. Here, we investigate the potential of monolayer 2D MoSH materials as candidates for NO gas sensing using a combination of density functional theory and non-equilibrium functions to construct nanodevices based on MoSH monolayer, and theoretically study the adsorption behavior of MoSH monolayer to NO, NO₂, and NH₃ gas molecules. The results indicate that MoSH monolayer exhibit metallicity, and nanodevices based on 2D MoSH monolayer exhibit anisotropic transport properties and significant negative differential resistance effects(NDR). More interestingly, gas sensors based on MoSH monolayers exhibit typical chemical adsorption of NO, NO₂, and NH₃ gas molecules, and the anisotropic transport properties still maintain, but significant differences of sensitivity appear for these three gas molecules. Specifically, the MoSH based gas sensor has the highest sensitivity to NO, reaching 93.1 % and 76.3 % along the armchair and zigzag directions, respectively. These results show that 2D MoSH monolayer is an excellent gas-sensing material with excellent application prospects for NO gas detection.

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基于二维 MoSH 的气体传感器在检测 NO、NO2 和 NH3 气体分子方面的传感性能改进

氮氧化物是空气中的主要污染物之一，准确、快速地检测氮氧化物对环境保护和人类健康至关重要。因此，开发高性能的新型氮氧化物线性传感器具有重要意义。在此，我们研究了单层二维 MoSH 材料作为氮氧化物气体传感候选材料的潜力，采用密度泛函理论和非平衡函数相结合的方法构建了基于 MoSH 单层的纳米器件，并从理论上研究了 MoSH 单层对 NO、NO2 和 NH3 气体分子的吸附行为。结果表明，MoSH 单层具有金属性，基于二维 MoSH 单层的纳米器件具有各向异性的传输特性和显著的负微分电阻效应（NDR）。更有趣的是，基于 MoSH 单层的气体传感器对 NO、NO2 和 NH3 气体分子表现出典型的化学吸附，各向异性传输特性依然保持，但对这三种气体分子的灵敏度出现了显著差异。具体来说，基于 MoSH 的气体传感器对 NO 的灵敏度最高，沿扶手和之字形方向分别达到 93.1% 和 76.3%。这些结果表明，二维 MoSH 单层是一种优秀的气体传感材料，在氮氧化物气体检测方面具有良好的应用前景。

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来源期刊

Ceramics International 工程技术-材料科学：硅酸盐

CiteScore

9.40

自引率

15.40%

发文量

4558

审稿时长

25 days

期刊介绍： Ceramics International covers the science of advanced ceramic materials. The journal encourages contributions that demonstrate how an understanding of the basic chemical and physical phenomena may direct materials design and stimulate ideas for new or improved processing techniques, in order to obtain materials with desired structural features and properties. Ceramics International covers oxide and non-oxide ceramics, functional glasses, glass ceramics, amorphous inorganic non-metallic materials (and their combinations with metal and organic materials), in the form of particulates, dense or porous bodies, thin/thick films and laminated, graded and composite structures. Process related topics such as ceramic-ceramic joints or joining ceramics with dissimilar materials, as well as surface finishing and conditioning are also covered. Besides traditional processing techniques, manufacturing routes of interest include innovative procedures benefiting from externally applied stresses, electromagnetic fields and energetic beams, as well as top-down and self-assembly nanotechnology approaches. In addition, the journal welcomes submissions on bio-inspired and bio-enabled materials designs, experimentally validated multi scale modelling and simulation for materials design, and the use of the most advanced chemical and physical characterization techniques of structure, properties and behaviour. Technologically relevant low-dimensional systems are a particular focus of Ceramics International. These include 0, 1 and 2-D nanomaterials (also covering CNTs, graphene and related materials, and diamond-like carbons), their nanocomposites, as well as nano-hybrids and hierarchical multifunctional nanostructures that might integrate molecular, biological and electronic components.