First-Principles Investigation of Glucose Adsorption and Sensing-Related Electronic Modulation on Ti3C2O2 MXene

and a detection limit of about 17 µM, consistent with reported experimental performance of MXene-based sensors. Comparative adsorption calculations for common sweat interferents yield -0.45 eV for lactate and -0.25 eV for urea, indicating weaker interfacial affinity than glucose; these values reflect thermodynamic binding strength and possible surface occupation rather than definitive electrochemical selectivity, which additionally depends on redox potential, electron-transfer kinetics, and operating bias. We acknowledge three main limitations: first, the model considers only pure oxygen termination rather than mixed oxygen, hydroxyl, and fluorine terminations; second, the calculations are performed under vacuum rather than in aqueous conditions; third, the study is based on static zero kelvin structures rather than finite temperature dynamics. Despite these idealizations, the results provide baseline mechanistic insights to support rational design of MXene-based glucose sensors.