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
Topics & Concepts
Dissociation (chemistry)ChemistryEnvironmental chemistryPhysical chemistryGas Sensing Nanomaterials and SensorsCopper-based nanomaterials and applicationsZnO doping and properties