Effect of surface stiffness on the efficiency of surface-induced dissociation
Abstract
Classical
trajectory simulations are performed to study the energy transfer and unimolecular dynamics
associated with collisions of Cr(CO)6+ ions with n-hexyl thiolate self-assembled monolayer (SAM) and diamond{111}
surfaces at a collision energy and angle of 30 eV and 45°. The trajectories are calculated with an analytic potential
energy function fit to high-level ab initio
calculations and ia
direct translation
to vibration (T–V)
energy transfer and a shattering mechanism.