Copper single-atom embedded mesoporous carbon nitride: a hybrid material for VOC sensing

Single-atom metal catalysts (SACs) hold immense promise for catalytic applications, yet their potential as volatile organic compound (VOC) sensing materials remains largely untapped. Here, we report a facile approach to produce Cu single-atom (Cu-SA) embedded mesoporous carbon nitride (mCN) hybrid material for precise and selective detection of VOCs. The study highlights the exceptional sensing capabilities of Cu-SA-mCN, focusing on its remarkable selectivity for aliphatic esters, acids, and water molecules. Explicitly, the material demonstrates an exciting adsorption capacity of 109.4 mmol g⁻¹ for acetic acid, showcasing its superior performance, which is three times higher than mesoporous carbon nitride without Cu single atoms. The high selectivity and sensitivity of Cu-SA-mCN are attributed to the mesoporous nature, abundant nitrogen moieties, and Cu-SAs present within the material. Density functional theory (DFT) calculation results demonstrate a strong charge transfer between Cu-SA-mCN and adsorbate molecules, contributing to the material’s excellent sensing properties. This work opens new avenues in the development of mCN materials embedded with single metal atoms, enriching the field of VOC sensors with stable, accurate, and cost-effective solutions with potential applications in environmental monitoring and industrial safety.