The Ti0.2V1.8C MXene Ink-Prepared Chemiresistor: From Theory to Tests with Humidity versus VOCs

The 2D structure of MXenes attracts wide research attention toward an application of these materials in gas sensors. These structures are extremely sensitive to minor variations in their composition, which are employed for tuning their functional properties. Here, we consider the partially substituted MXenes of the composition of TixV2-xC, where x = 0.2, via quantum chemical calculations, and test their chemiresistive characteristics as a receptor component of the planar-type sensor and on-chip multisensor array. We thoroughly discuss the synthesis process of Ti0.2V1.8AlC MAX-phase and the corresponding MXenes, to prepare functional inks and, furthermore, deposit the films by microextrusion printing over an array of planar multi-electrode structures at the surface of a pen-sized chip. The crystal structure of the obtained materials is evaluated via X-ray diffraction analysis. The developed chip has been exposed upon few gaseous analytes, of alcohol VOCs, NH3, and H2O, of a 500–16,000 ppm concentration, at room temperature to ensure that we could observe the positive chemiresistive effect matured from resistance enhancing, with up to 10% vs. water vapors. The calculations carried in the framework of the density-functional theory for V2C, Ti2C, and Ti0.2V1.8C crystals ensured that the variations in their electronic structure were almost consistent with the experiment fundings: the most prominent effect is observed in relation to the H2O vapors. Therefore, these Ti0.2V1.8C structures could be considered for applying them in room temperature-operated hygrometers.