nonadiabatic

Science

A new strategy to simulate nonadiabatic dynamics of molecules on metal surfaces

Schematic workflow for nonadiabatic dynamics simulation of a molecule (e.g. CO) on a metal surface. Credit: Prof. Jiang’s team The team proposed a new approach to accurately describe the nonadiabatic dynamics of molecular electron transfer at metal surfaces. Their work was published in Physical Review Letters. Numerous experimental phenomena have demonstrated that nonadiabatic energy transfer is widespread in various interfacial…