Abstract
The increasing significance of hydrogen (H(2)) gas as a clean energy source has prompted the development of high-performance H(2) gas sensors. Palladium (Pd)-based sensors, with their advantages of selectivity, scalability, and cost-effectiveness, have shown promise in this regard. However, the long-term stability and reliability of Pd-based sensors remain a challenge. This study not only identifies the exact cause for performance degradation in palladium (Pd) nanowire H(2) sensors, but also implements and optimizes a cost-effective recovery method. The results from density functional theory (DFT) calculations and material analysis confirm the presence of C = O bonds, indicating performance degradation due to carbon dioxide (CO(2)) accumulation on the Pd surface. Based on the molecular behavior calculation in high temperatures, we optimized the thermal treatment method of 200 °C for 10 minutes to remove the C = O contaminants, resulting in nearly 100% recovery of the sensor's initial performance even after 2 months of contamination.