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Chemical Discrimination of Benzene Series and Molecular Recognition of the Sensing Process over Ti-Doped Co3O4
ACS Sensors ( IF 8.2 ) Pub Date : 2022-06-03 , DOI: 10.1021/acssensors.2c00685 Zhengmao Cao 1 , Yingzhu Ge 2 , Wu Wang 2 , Jianping Sheng 2 , Zijian Zhang 2 , Jieyuan Li 1 , Yanjuan Sun 2 , Fan Dong 1
ACS Sensors ( IF 8.2 ) Pub Date : 2022-06-03 , DOI: 10.1021/acssensors.2c00685 Zhengmao Cao 1 , Yingzhu Ge 2 , Wu Wang 2 , Jianping Sheng 2 , Zijian Zhang 2 , Jieyuan Li 1 , Yanjuan Sun 2 , Fan Dong 1
Affiliation
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This work achieved the chemical discrimination of benzene series (toluene, xylene isomers, and ethylbenzene gases) based on the Ti-doped Co3O4 sensor. Benzene series gases presented different gas-response features due to the differences in redox rate on the surface of the Ti-doped Co3O4 sensor, which created an opportunity to discriminate benzene series via the algorithm analysis. Excellent groupings were obtained via the principal component analysis. High prediction accuracies were acquired via k-nearest neighbors, linear discrimination analysis (LDA), and support vector machine classifiers. With the confusion matrix for the data set using the LDA classifier, the benzene series have been well classified with 100% accuracy. Furthermore, in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and density functional theory calculations were conducted to investigate the molecular gas–solid interfacial sensing mechanism. Ti-doped Co3O4 showed strong Lewis acid sites and adsorption capability toward reaction species, which benefited the toluene gas-sensing reaction and resulted in the highly boosted gas-sensing performance. Our research proposed a facile distinction methodology to recognize similar gases and provided new insights into the recognition of gas–solid interfacial sensing mechanisms.
中文翻译：
Ti掺杂Co3O4苯系物的化学鉴别及传感过程的分子识别
这项工作基于Ti掺杂的Co 3 O 4传感器实现了苯系列（甲苯、二甲苯异构体和乙苯气体）的化学鉴别。由于Ti掺杂Co 3 O 4表面氧化还原速率的不同，苯系气体呈现出不同的气体响应特征传感器，这为通过算法分析区分苯系列创造了机会。通过主成分分析获得了优秀的分组。通过 k-最近邻、线性判别分析 (LDA) 和支持向量机分类器获得了高预测精度。使用 LDA 分类器对数据集进行混淆矩阵，苯系列分类准确率达到 100%。此外，还进行了原位漫反射红外傅里叶变换光谱（DRIFTS）和密度泛函理论计算，以研究分子气固界面传感机制。Ti掺杂Co 3 O 4显示出较强的路易斯酸位点和对反应物种的吸附能力，这有利于甲苯的气敏反应，并导致气敏性能的大幅提升。我们的研究提出了一种简单的区分方法来识别相似的气体，并为识别气固界面传感机制提供了新的见解。
更新日期：2022-06-03
中文翻译：
Ti掺杂Co3O4苯系物的化学鉴别及传感过程的分子识别
这项工作基于Ti掺杂的Co 3 O 4传感器实现了苯系列（甲苯、二甲苯异构体和乙苯气体）的化学鉴别。由于Ti掺杂Co 3 O 4表面氧化还原速率的不同，苯系气体呈现出不同的气体响应特征传感器，这为通过算法分析区分苯系列创造了机会。通过主成分分析获得了优秀的分组。通过 k-最近邻、线性判别分析 (LDA) 和支持向量机分类器获得了高预测精度。使用 LDA 分类器对数据集进行混淆矩阵，苯系列分类准确率达到 100%。此外，还进行了原位漫反射红外傅里叶变换光谱（DRIFTS）和密度泛函理论计算，以研究分子气固界面传感机制。Ti掺杂Co 3 O 4显示出较强的路易斯酸位点和对反应物种的吸附能力，这有利于甲苯的气敏反应，并导致气敏性能的大幅提升。我们的研究提出了一种简单的区分方法来识别相似的气体，并为识别气固界面传感机制提供了新的见解。
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