Mechanistic Insights into NO<sub>2</sub> Sensing at Room Temperature: Oxygen Vacancy Dynamics Revealed by <i>in Situ</i> Optoelectronic Characterization.

Li, Ji; Zhao, Na; Liu, Xianghong; Chang, Xiao; Zheng, Wei; Zhang, Jun · Nano Lett · 2026

basic_science · Level V

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Abstract

Understanding light-defect-gas interactions at the molecular level is central to designing energy-efficient chemical sensors. While photogenerated carriers are recognized mediators, the dynamic role of photoactivated oxygen vacancies remains unexplored. Through <i>in situ</i> optoelectronic spectroscopy, we directly probe oxygen vacancy evolution during NO<sub>2</sub> adsorption. <i>In situ</i> DRIFTS and Raman analyses establish that oxygen vacancy states govern surface oxygen speciation, revealing that photoactivated vacancies─not electron-hole pairs─dominate room-temperature sensing kinetics. This work provides direct mechanistic evidence of defect-mediated adsorption, a generalizable framework for light-defect interactions in semiconductors, and foundational principles for engineering oxygen-vacancy dynamics in surface processes, such as photocatalysis and optoelectronics.