DFT Calculation for Organic Semiconductor-Based Gas Sensors: Sensing Mechanism, Dynamic Response and Sensing Materials

Zhongchao Zhou,Jian Song, Yinghao Xie, Yuqian Ma,Hong Hu,Hui Li, Lei Zhang, Charles H. Lawrie

Chinese Chemical Letters（2025）

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关键词

Density functional theory (DFT),Organic semiconductor-based gas sensors,Sensing mechanism,Dynamic response,Sensing materials

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