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Room temperature ethanol gas-sensing properties based on Ag-doped MoSe2 nanoflowers: experimental and DFT investigation

IF 2.7 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY
New Journal of Chemistry Pub Date : 2021-10-19 DOI:10.1039/D1NJ04318H
Tingting Li, Sujing Yu, Qi Li, Minghe Chi and Peng Li
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引用次数: 1

Abstract

An Ag-doped MoSe2 nanomaterial-based sensor was fabricated for ppb-level ethanol sensing at room temperature. The MoSe2 and Ag-modified MoSe2 nano-flowers were synthesized by a hydrothermal method, which exhibited high purity...

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基于掺银MoSe2纳米花的室温乙醇气敏性能:实验和DFT研究
制备了一种用于室温下ppb级乙醇传感的掺银MoSe2纳米材料传感器。采用水热法合成了mosse2和ag修饰的mosse2纳米花，具有较高的纯度和结晶度。采用SEM、TEM、XRD、XPS等表征技术对Ag-MoSe2样品的微观形貌和微观结构进行了综合分析。银修饰MoSe2纳米材料由多个纳米片组装而成的纳米花组成。气敏结果证实，与原始MoSe2相比，ag修饰的MoSe2传感器在室温下对乙醇具有较低的检测限(10 ppb)和良好的响应/恢复特性，可用于饮用者的酒精检测。为了进一步验证和解释感应机制，通过基于密度泛函理论(DFT)的第一性原理研究模拟了原始和掺银MoSe2的吸附构型。有趣的是，与原始MoSe2体系相比，Ag-MoSe2体系表现出优异的乙醇传感性能，这与实验结果一致。这项工作提出了实验和DFT模拟的结合，以证实ag掺杂的MoSe2纳米花是室温下低浓度乙醇检测的有希望的候选物。
本文章由计算机程序翻译，如有差异，请以英文原文为准。
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来源期刊
New Journal of Chemistry
New Journal of Chemistry 化学-化学综合
CiteScore
5.30
自引率
6.10%
发文量
1832
审稿时长
2 months
期刊介绍： A journal for new directions in chemistry
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