[HTML][HTML] Non-adiabatic effects in elementary reaction processes at metal surfaces
Great success has been achieved in the modeling of gas-surface elementary processes by
the use of the Born-Oppenheimer approximation. However, in metal surfaces low energy …
the use of the Born-Oppenheimer approximation. However, in metal surfaces low energy …
Disentangling the role of electrons and phonons in the photoinduced CO desorption and CO oxidation on (O, CO)-Ru (0001)
The role played by electronic and phononic excitations in the femtosecond laser induced
desorption and oxidation of CO coadsorbed with O on Ru (0001) is investigated using ab …
desorption and oxidation of CO coadsorbed with O on Ru (0001) is investigated using ab …
Photoinduced CO desorption dominates over oxidation on different O+ CO covered Ru (0001) surfaces
The photoinduced desorption and oxidation of CO on Ru (0001) is simulated using ab initio
molecular dynamics with electronic friction that accounts for the nonequilibrated excited …
molecular dynamics with electronic friction that accounts for the nonequilibrated excited …
Femtosecond laser-induced desorption of hydrogen molecules from Ru (0001): A systematic study based on machine-learned potentials
Femtosecond laser-induced dynamics of molecules on metal surfaces can be seamlessly
simulated with all nuclear degrees of freedom using ab initio molecular dynamics with …
simulated with all nuclear degrees of freedom using ab initio molecular dynamics with …
Why ultrafast photoinduced co desorption dominates over oxidation on ru (0001)
CO oxidation on Ru (0001) is a long-standing example of a reaction that, being thermally
forbidden in ultrahigh vacuum, can be activated by femtosecond laser pulses. In spite of its …
forbidden in ultrahigh vacuum, can be activated by femtosecond laser pulses. In spite of its …
Photoinduced desorption dynamics of CO from Pd (111): A neural network approach
Modeling the ultrafast photoinduced dynamics and reactivity of adsorbates on metals
requires including the effect of the laser-excited electrons and, in many cases, also the effect …
requires including the effect of the laser-excited electrons and, in many cases, also the effect …
Femtosecond laser induced desorption of , and HD from Ru(0001): Dynamical promotion and suppression studied with ab initio molecular dynamics with …
We perform ab initio molecular dynamics simulations to study the femtosecond laser
induced desorption of H 2, D 2, and HD from a H: D-saturated Ru (0001) surface. To this aim …
induced desorption of H 2, D 2, and HD from a H: D-saturated Ru (0001) surface. To this aim …
Femtosecond-laser induced dynamics of CO on Ru (0001): Deep insights from a hot-electron friction model including surface motion
A Langevin model accounting for all six molecular degrees of freedom is applied to
femtosecond-laser induced, hot-electron driven dynamics of Ru (0001)(2× 2): CO. In our …
femtosecond-laser induced, hot-electron driven dynamics of Ru (0001)(2× 2): CO. In our …
Electrons and phonons cooperate in the laser-induced desorption of CO from Pd (111)
Femtosecond laser induced desorption of CO from a CO-covered Pd (111) surface is
investigated with ab initio molecular dynamics with electronic friction that incorporates …
investigated with ab initio molecular dynamics with electronic friction that incorporates …
Vibrational response and motion of carbon monoxide on Cu (100) driven by femtosecond laser pulses: Molecular dynamics with electronic friction
Carbon monoxide on copper surfaces continues to be a fascinating, rich microlab for many
questions evolving in surface science. Recently, hot-electron mediated, femtosecond-laser …
questions evolving in surface science. Recently, hot-electron mediated, femtosecond-laser …