Trimethylamine gas sensor based on bimetallic Ag/Cu@CuFe2O4: Experiment and DFT calculation

IF 5.8 2区材料科学 Q2 CHEMISTRY, PHYSICAL

Journal of Alloys and Compounds Pub Date : 2024-11-19 DOI:10.1016/j.jallcom.2024.177662

Yuehang Sun, Dongzhi Zhang, Mingcong Tang, Wenzhe Liu, Yukun Liu, Jianghao Wang, Guangshuai Xi, Haotian Xiong, Lifa Zhang

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引用次数: 0

Abstract

In this study, Ag/Cu@CuFe₂O₄ nanocomposites were prepared using hydrothermal method and sedimentation-precipitation method for the detection of TMA gas. The morphology, crystal structure and elemental composition of the materials were analyzed by XRD, SEM, EDS and XPS characterization, and the results showed that the Ag/Cu@CuFe₂O₄ composites were successfully synthesized. When the content of Ag was 10% by molar ratio, the Ag/Cu@CuFe₂O₄ (ACF-10) sensor exhibited optimal performance at a working temperature of 150 ^oC, showing the best response to TMA gas. The ACF-10 sensor had a response and recovery time of 8 s and 14 s for 20 ppm TMA, with a response value of 42.8%. The sensor also demonstrated excellent selectivity, repeatability, and enduring stability over the long-term. The presence of Ag and Cu increases the adsorption of TMA gas on the material's surface by promoting catalytic reactions with oxygen molecules. Additionally, the enhanced TMA gas sensing performance of the Ag/Cu@CuFe₂O₄ nanocomposite material was further elucidated through theoretical calculations based on first principles. The constructed TMA gas detection circuit can detect and display TMA gas concentration, enabling real-time TMA gas detection functionality.

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基于双金属 Ag/Cu@CuFe2O4 的三甲胺气体传感器：实验和 DFT 计算

本研究采用水热法和沉淀-沉淀法制备了用于检测TMA气体的Ag/Cu@CuFe2O4纳米复合材料。通过 XRD、SEM、EDS 和 XPS 表征分析了材料的形貌、晶体结构和元素组成，结果表明 Ag/Cu@CuFe2O4 复合材料合成成功。当 Ag 的摩尔比含量为 10%时，Ag/Cu@CuFe2O4（ACF-10）传感器在 150 oC 的工作温度下表现出最佳性能，对 TMA 气体的响应最佳。ACF-10 传感器对 20 ppm TMA 的响应和恢复时间分别为 8 秒和 14 秒，响应值为 42.8%。该传感器还表现出卓越的选择性、可重复性和长期稳定性。Ag 和 Cu 的存在通过促进与氧分子的催化反应，增加了材料表面对 TMA 气体的吸附。此外，基于第一性原理的理论计算进一步阐明了 Ag/Cu@CuFe2O4 纳米复合材料增强的 TMA 气体传感性能。所构建的 TMA 气体检测电路可检测和显示 TMA 气体浓度，从而实现实时 TMA 气体检测功能。

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

Journal of Alloys and Compounds 工程技术-材料科学：综合

CiteScore

11.10

自引率

14.50%

发文量

5146

审稿时长

67 days

期刊介绍： The Journal of Alloys and Compounds is intended to serve as an international medium for the publication of work on solid materials comprising compounds as well as alloys. Its great strength lies in the diversity of discipline which it encompasses, drawing together results from materials science, solid-state chemistry and physics.