The Nature of a “Floating” Electron Maksim Skorobogatiy, John Joannopoulos MIT, Department of Physics

Structure of a Fully Solvated Electron in the Bulk of Water

Classical Water Simulation 15 A 7.5 A 15 A 7.5 A Vacuum Surface and Bulk Ice-like first 2 layers pinned by springs to the ice equilibrium positions. Thermostat is implemented by rescaling the velocities of these atoms every 5fs. Net average dipole along vertical direction is close to zero.

Thermodynamic Properties of Classical Water, Diffusion Coefficients Δ D(t,Δt)

Thermodynamic Properties of Classical Water, Preferred Dipole Orientation

Initial Localization of the Electron Cloud

Dynamics of the “Floating" Excess Electron on the Water Surface Trap lifetimes fs Transition times fs Trap sizes A

Short Time Diffusion Coefficient of the “Floating" Excess Electron on the Water Surface

Nature of the Inter-Trap Transitions (transition attempt)

Nature of the Inter-Trap Transitions (transition success)

Long Time Diffusion Coefficient of the “Floating" Excess Electron on the Water Surface Formation of a Stable Surface State Δt=1ps

Spectral Densities of the VACF of the Center of Mass of Excess Electron Δt=1ps t=0-2ps t=2-6ps

Surface State