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DFT and AIMD insights into heterogeneous dissociation of 2-chlorothiophenol on CuO(111) surface: Impact of H2O and OH

Xiaotong Wang, Mohammad Hassan Hadizadeh, Wei Wang, Yongxia Hu, Ying Zhou, Fei Xu, Yanhui Sun, Wenxing Wang

2024Chemosphere10 citationsDOI

Topics & Concepts

Dissociation (chemistry)ChemistryEnvironmental chemistryPhysical chemistryGas Sensing Nanomaterials and SensorsCopper-based nanomaterials and applicationsZnO doping and properties
DFT and AIMD insights into heterogeneous dissociation of 2-chlorothiophenol on CuO(111) surface: Impact of H2O and OH | Litcius