Single-Atom Cu Anchored on a UiO-66 Surface-Enhanced Raman Scattering Sensor for Trace and Rapid Detection of Volatile Organic Compounds

Volatile organic compounds (VOCs) serve as critical biomarkers in exhaled breath for early-stage cancer patients, and their rapid, trace-level detection holds marked implications for cancer screening. Surface-enhanced Raman scattering (SERS) technology demonstrates strong potential for trace VOC gas detection due to its ultra-high sensitivity and immunity to water interference. However, while surface plasmon resonance (SPR)-free semiconductor substrates offer superior spectral stability and selectivity, their sensitivity toward VOC detection remains suboptimal. This study introduces a novel semiconductor-based SERS substrate composed of copper single atoms anchored on UiO-66 (Cu 1 /UiO-66), achieving a record-low detection limit of 10 parts per billion for VOC gases with a rapid 2-min response time, thereby elevating the gas-sensing performance of SPR-free substrates to unprecedented levels. The exceptional SERS activity originates from the highly delocalized electron properties of single-atomic copper, which effectively facilitates single-atom charge transfer processes. Concurrently, the incorporation of copper single atoms modulates the band structure of UiO-66, substantially enhancing the coupling resonance between the substrate and target molecules. In simulated breath tests mimicking lung cancer patients’ exhalations, Cu 1 /UiO-66 exhibits remarkable VOC recognition capability and robust anti-interference performance. This work pioneers a new paradigm for ultra-sensitive, rapid detection of trace VOCs in exhaled breath, holding substantial promise for early cancer diagnostics and clinical translation.