Quantum Dynamics and Quasi-Classical Trajectory Study for the Dissociative Chemisorption of NO on Cu(111)

• Published in: Journal of physical chemistry. C Vol. 128; no. 43; pp. 18255 - 18264
• Main Authors: Peng, Tianze, Wu, Pengju, Liu, Tianhui, Fu, Yanlin, Han, Yong-Chang, Zhang, Dong H., Fu, Bina
• Format: Journal Article
• Language: English
• Published: American Chemical Society 31.10.2024
• Subjects: C: Chemical and Catalytic Reactivity at Interfaces

The investigation of the quantum effect for the dissociative chemisorption dynamics is an important subject. Recent studies revealed significant quantum effects for the heavy-diatomic reaction of N2 + Fe(111), but it is still uncertain how extensive the quantum effects are in the heavy-atomic molecu...