Zhou Qinan, Zhu Luyi, Zheng Chengyu, Wang Jun
College of Biosystems Engineering and Food Science, Zhejiang University, 866 Yuhangtang Road, Hangzhou 310058, P. R. China.
ACS Appl Mater Interfaces. 2021 Sep 1;13(34):41339-41350. doi: 10.1021/acsami.1c12213. Epub 2021 Aug 23.
We have developed a tungsten disulfide (WS)/multiwall carbon nanotubes (MWCNTs) nanocomposite based QCM gas sensor for (trimethylamine) TMA gas sensing of low concentrations. WS/MWCNTs nanocomposite was synthesized via the hydrothermal method and was characterized for surface morphology, nanostructure, thermal stability, and elementary composition. The TMA-sensing properties of WS/MWCNTs nanocomposite based QCM sensor were investigated. The composite based QCM sensor showed faster response time, strong response amplitude, good gas capacity, and good selectivity and stability compared with as prepared WS and MWCNTs-1 based QCM sensor. The response time of WS/MWCNTs based QCM sensor was 294.1 and 142.9 s shorter than WS and MWCNTs-1 for 500 ppb TMA gas. And the response of the WS/MWCNTs based QCM sensor was almost stable over 40 days, and the limit of detection (LOD) was 76 ppb calculated by the ICH method. This was ascribed to the fact that MWCNTs provided a skeleton for the growth of WS nanosheets and avoided agglomeration. The special structure could not only improve the structure ability but also expose more active adsorption sites. In order to further investigate the adsorption mechanism of the TMA molecule on (pure/functionalized) WS materials, density functional theory (DFT) calculations based on first-principle were conducted in the Vienna Ab-initio Simulation Package under ideal conditions.
我们开发了一种基于二硫化钨（WS）/多壁碳纳米管（MWCNTs）纳米复合材料的石英晶体微天平（QCM）气体传感器，用于低浓度三甲胺（TMA）气体传感。通过水热法合成了WS/MWCNTs纳米复合材料，并对其表面形貌、纳米结构、热稳定性和元素组成进行了表征。研究了基于WS/MWCNTs纳米复合材料的QCM传感器对TMA的传感性能。与制备的基于WS和MWCNTs-1的QCM传感器相比，基于该复合材料的QCM传感器显示出更快的响应时间、更强的响应幅度、良好的气体容量以及良好的选择性和稳定性。对于500 ppb的TMA气体，基于WS/MWCNTs的QCM传感器的响应时间比WS和MWCNTs-1分别短294.1秒和142.9秒。并且基于WS/MWCNTs的QCM传感器的响应在40天内几乎保持稳定，通过国际协调会议（ICH）方法计算的检测限（LOD）为76 ppb。这归因于MWCNTs为WS纳米片的生长提供了骨架并避免了团聚。这种特殊结构不仅可以提高结构能力，还能暴露更多的活性吸附位点。为了进一步研究TMA分子在（纯/功能化）WS材料上的吸附机制，在理想条件下于维也纳从头算模拟包中进行了基于第一性原理的密度泛函理论（DFT）计算。
