Abstract

The adsorption behavior and sensing performance of Volatile Organic Compounds (VOCs) adsorbed on two-dimensional (2D) XC (X=Ge, Si) are investigated using first principles calculations. The results indicate that the most stable adsorption configurations of the same toxic gas vary in terms of adsorption sites and angles among different 2D XC materials. By studying the current-voltage (I-V) curve of GeC adsorption system, CH2O gas can be detected in the I-V curve. In addition, the recovery time of five types of VOCs adsorbed on XC rapidly decreases with increasing temperature, indicating that heating can easily separate these VOCs from the XC gas sensor. In particular, CH4 gas has a significantly shorter recovery time compared to the other four gases. This indicates that XC serves as a reversible sensor for the detection of CH4 gas. Therefore, studying the adsorption of VOCs on XC is expected to facilitate the advancement of gas sensing technology.

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