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Experimental and Theoretical Analysis of Molecular Sensors for Ultra-Sensitive Aldehyde (vocs) Detection Mimicking Human Breath

SSRN Electronic Journal(2022)

Cited 0|Views8
Abstract
The detection of low concentration formaldehyde as a potential breath marker for lung cancer is a technical challenge in the current gas sensor field due to its weak electrical signal and its susceptibility to humidity. Here, we report on a combination of density functional theory (DFT) and experimental data to establish that aldehydes in super-saturated water vapor (80% humidity) can be detected using nanotubes molecular field-effect transistors. A thin film of high-purity semiconducting single-wall carbon nanotubes (SWCNTs) network and a catalytic metal were used as the sensing material. The fabricated back-gated Pt-decorated SWCNT FET sensors showed a response of 26.99% to 300 ppm formaldehyde at room temperature and humidity of 80% which is 11.58 times greater than that obtained for its detection using back gated bare SWCNT FET. DFT calculation also confirmed that the sensitivity of Pt-decorated SWCNT toward methanediol (formaldehyde in humidity) detection is 7.29 greater than that obtained for methanediol detection using pristine SWCNT. Moreover, the fabricated back-gated Pt-decorated SWCNT FET sensors exhibited a good recovery of 115 sec towards 300 ppm formaldehyde at 70 °C with sub-ppb theoretical calculation limit-of-detection (LOD). Hence, back-gated Pt-decorated SWCNT FET sensor is a promising candidate for easy screening of lung cancer patients.
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要点】:本研究通过结合密度泛函理论(DFT)和实验方法,开发了一种基于纳米管场效应晶体管的分子传感器,实现了对低浓度甲醛的高灵敏度检测,以模仿人类呼吸中的标记物,用于肺癌的早期筛查。

方法】:研究采用高纯度半导体单壁碳纳米管网络薄膜和催化金属作为传感材料,利用DFT计算和实验数据相结合的方式,分析甲醛在超高饱和水蒸气环境下的检测性能。

实验】:实验使用了背栅Pt修饰的SWCNT FET传感器,在室温和80%湿度条件下,对300 ppm甲醛的响应达到26.99%,相比未修饰的SWCNT FET灵敏度提高了11.58倍。同时,DFT计算确认了Pt修饰的SWCNT对甲烷醇(湿度下的甲醛)的检测灵敏度比未修饰的SWCNT高出7.29倍。在70°C下,该传感器对300 ppm甲醛展现出115秒的良好恢复性,理论计算检测限达到亚ppb级。