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基于机器学习的钒酸铋/氧化钨异质结构痕量三乙胺识别

Machine learning-motivated trace triethylamine identification by bismuth vanadate/tungsten oxide heterostructures.

作者信息

Ding Wei, Feng Min, Zhang Ziqi, Fan Faying, Chen Long, Zhang Kewei

机构信息

College of Chemistry and Chemical Engineering, Hexi University, Zhangye 734000, PR China; College of Materials Science and Engineering, Qingdao University, Qingdao 266071, PR China.

College of Chemistry and Chemical Engineering, Hexi University, Zhangye 734000, PR China.

出版信息

J Colloid Interface Sci. 2025 Mar 15;682:1140-1150. doi: 10.1016/j.jcis.2024.12.028. Epub 2024 Dec 9.

DOI:10.1016/j.jcis.2024.12.028
PMID:39671948
Abstract

Triethylamine, an extensively used material in industrial organic synthesis, is hazardous to the human respiratory and nervous systems, but its accurate detection and prediction has been a long-standing challenge. Herein, a machine learning-motivated chemiresistive sensor that can predict ppm-level triethylamine is designed. The zero-dimensional (0D) bismuth vanadate (BiVO) nanoparticles were anchored on the surface of three-dimensional (3D) tungsten oxide (WO) architectures to form hierarchical BiVO/WO heterostructures, which demonstrates remarkable triethylamine-sensing performance such as high response of 21 (4 times higher than pristine WO) at optimal temperature of 190 °C, low detection limit of 57 ppb, long-term stability, reproducibility and good anti-interference property. Furthermore, an intelligent framework with good visibility was developed to identify ppm-level triethylamine and predict its definite concentration. Using feature parameters extracted from the sensor responses, the machine learning-based classifier provides a decision boundary with 92.3 % accuracy, and the prediction of unknown gas concentration was successfully achieved by linear regression model after training a series of as-known concentrations. This work not only provides a fundamental understanding of BiVO-based heterostructures in gas sensors but also offers an intelligent strategy to identify and predict trace triethylamine under an interfering atmosphere.

摘要

三乙胺是工业有机合成中广泛使用的一种物质,对人体呼吸系统和神经系统有害,但其准确检测和预测一直是一个长期存在的挑战。在此,设计了一种基于机器学习的化学电阻传感器,该传感器能够预测ppm级别的三乙胺。将零维(0D)钒酸铋(BiVO)纳米颗粒锚定在三维(3D)氧化钨(WO)结构表面,形成分级BiVO/WO异质结构,该结构展现出卓越的三乙胺传感性能,如在190℃的最佳温度下具有21的高响应(比原始WO高4倍)、57 ppb的低检测限、长期稳定性、可重复性和良好的抗干扰性能。此外,还开发了一个具有良好可视化效果的智能框架,用于识别ppm级别的三乙胺并预测其确切浓度。利用从传感器响应中提取的特征参数,基于机器学习的分类器提供了一个准确率为92.3%的决策边界,并且在对一系列已知浓度进行训练后,通过线性回归模型成功实现了对未知气体浓度的预测。这项工作不仅为气体传感器中基于BiVO的异质结构提供了基本认识,还提供了一种在干扰气氛下识别和预测痕量三乙胺的智能策略。

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