Quantum dynamical approach to ultrafast molecular desorption from surfaces
P Saalfrank - Chemical reviews, 2006 - ACS Publications
The desorption of atoms or molecules from solid surfaces is a key step in heterogeneous
catalysis, photocatalysis, electrochemistry, and surface nanochemistry. The breaking of a …
catalysis, photocatalysis, electrochemistry, and surface nanochemistry. The breaking of a …
Role of electronic friction during the scattering of vibrationally excited nitric oxide molecules from Au (111)
S Monturet, P Saalfrank - Physical Review B—Condensed Matter and …, 2010 - APS
Some time ago, it has been observed that vibrationally highly excited NO (v) molecules (with
typical vibrational quantum numbers v≈ 15) lose substantial amounts of vibrational energy …
typical vibrational quantum numbers v≈ 15) lose substantial amounts of vibrational energy …
Femtosecond-laser-driven molecular dynamics on surfaces: Photodesorption of molecular oxygen from Ag (110)
We simulate the femtosecond-laser-induced desorption dynamics of a diatomic molecule
from a metal surface by including the effect of the electron and phonon excitations created …
from a metal surface by including the effect of the electron and phonon excitations created …
Hot-electron-mediated desorption rates calculated from excited-state potential energy surfaces
We present a model for desorption induced by (multiple) electronic transitions [DIET
(DIMET)] based on potential energy surfaces calculated with the delta self-consistent field …
(DIMET)] based on potential energy surfaces calculated with the delta self-consistent field …
Photodesorption of diatomic molecules from surfaces: A theoretical approach based on first principles
T Klüner - Progress in surface science, 2010 - Elsevier
Photodesorption of small molecules from surfaces is one of the most fundamental processes
in surface photochemistry. Despite its apparent simplicity, a microscopic understanding …
in surface photochemistry. Despite its apparent simplicity, a microscopic understanding …
Monte Carlo wave packet study of negative ion mediated vibrationally inelastic scattering of NO from the metal surface
S Li, H Guo - The Journal of chemical physics, 2002 - pubs.aip.org
The scattering dynamics of vibrationally excited NO from a metal surface is investigated
theoretically using a dissipative model that includes both the neutral and negative ion states …
theoretically using a dissipative model that includes both the neutral and negative ion states …
[图书][B] Analysis and control of ultrafast photoinduced reactions
O Kühn, L Wöste - 2007 - books.google.com
Dynamical processes in molecules like bond shaking, breaking or making c-
monlytakeplaceonatimescalefromthepico-downtothefemtosecondrange …
monlytakeplaceonatimescalefromthepico-downtothefemtosecondrange …
Femtosecond-Laser Desorption of H2 (D2) from Ru(0001): Quantum and Classical Approaches
The femtosecond-laser-induced, substrate-mediated associative desorption of molecular
hydrogen and deuterium from a Ru (0001) surface in the so-called DIMET limit is studied …
hydrogen and deuterium from a Ru (0001) surface in the so-called DIMET limit is studied …
Surrogate Hamiltonian study of electronic relaxation in the femtosecond laser induced desorption of NO/NiO (100)
A microscopic model for electronic quenching in the photodesorption of NO from NiO (100)
is developed. The quenching is caused by the interaction of the excited adsorbate–substrate …
is developed. The quenching is caused by the interaction of the excited adsorbate–substrate …
Open-system density matrix description of femtosecond laser desorption of electronically and vibrationally relaxing adsorbates: Single-and two-pulse scenarios
M Nest, P Saalfrank - The Journal of chemical physics, 2002 - pubs.aip.org
The femtosecond laser pulse induced desorption of a molecule (NO) from a metal surface
(Pt) is investigated by means of open-system density matrix theory. Single-and two-pulse …
(Pt) is investigated by means of open-system density matrix theory. Single-and two-pulse …