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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

2025Chinese Chemical Letters29 citationsDOI

Topics & Concepts

SemiconductorMechanism (biology)Organic semiconductorMaterials scienceOptoelectronicsNanotechnologyComputer sciencePhysicsQuantum mechanicsGas Sensing Nanomaterials and SensorsAdvanced Chemical Sensor TechnologiesAnalytical Chemistry and Sensors
DFT calculation for organic semiconductor-based gas sensors: Sensing mechanism, dynamic response and sensing materials | Litcius