Cui Zhen, Wang Hanxiao, Yang Kunqi, Shen Yang, Qin Ke, Yuan Pei, Li Enling
School of Science, Xi'an University of Technology, Xi'an 710054, China.
School of Automation and Information Engineering, Xi'an University of Technology, Xi'an 710048, China.
Sensors (Basel). 2024 Jan 24;24(3):762. doi: 10.3390/s24030762.
The gas sensitivity of the W defect in WS (V/WS) to five toxic gases-HCHO, CH, CHHO, CHOH, and CHCH-has been examined in this article. These five gases were adsorbed on the V/WS surface, and the band, density of state (DOS), charge density difference (CDD), work function (), current-voltage (I-V) characteristic, and sensitivity of adsorption systems were determined. Interestingly, for HCHO-V/WS, the energy level contribution of HCHO is closer to the Fermi level, the charge transfer () is the largest (0.104 e), the increase in is more obvious than other adsorption systems, the slope of the I-V characteristic changes more obviously, and the calculated sensitivity is the highest. To sum up, V/WS is more sensitive to HCHO. In conclusion, V/WS has a great deal of promise for producing HCHO chemical sensors due to its high sensitivity and selectivity for HCHO, which can aid in the precise and efficient detection of toxic gases.
本文研究了WS（V/WS）中W缺陷对五种有毒气体——甲醛（HCHO）、甲烷（CH₄）、乙醛（CH₃CHO）、乙醇（CH₃CH₂OH）和乙烯（CH₂CH₂）的气敏性。这五种气体吸附在V/WS表面，并测定了吸附体系的能带、态密度（DOS）、电荷密度差（CDD）、功函数（）、电流-电压（I-V）特性和气敏性。有趣的是，对于HCHO-V/WS，HCHO的能级贡献更接近费米能级，电荷转移（）最大（0.104 e），的增加比其他吸附体系更明显，I-V特性的斜率变化更明显，计算得到的气敏性最高。综上所述，V/WS对HCHO更敏感。总之，V/WS因其对HCHO的高灵敏度和选择性，在生产HCHO化学传感器方面具有很大的潜力，这有助于精确高效地检测有毒气体。
