39 citations · 65 across the 6 of their papers we have counts for
5 papers · 1 filter
Real-Time Coupled Electron-Nuclear Dynamics of Chemical Bond Formation: Hydrogen Scattering from a Semiconductor Surface
Jialong Shi, Lingjun Zhu, Florian Nitz +4
A first-principles coupled electron-nuclear dynamics simulation based on real-time, time-dependent density functional theory and Ehrenfest dynamics quantitatively repro-duces bimod…
Full Quantum dynamics study for H atom scattering from graphene
Lei Shi, Markus Schröder, Hans-Dieter Meyer +6
This study deals with the understanding of hydrogen atom scattering from graphene, a process critical for exploring C-H bond formation and energy transfer during the atom surface c…
Mechanistic Insights into Non-Adiabatic Interband Transitions on a Semiconductor Surface Induced by Hydrogen Atom Collisions
Lingjun Zhu, Qijing Zheng, Yingqi Wang +6
To understand the recently observed mysterious non-adiabatic energy transfer for hyperthermal H atom scattering from a semiconductor surface, Ge(111)c(2*8), we present a mixed quan…
Measuring transient reaction rates from non-stationary catalysts
Dmitriy Borodin, Kai Golibrzuch, Michael Schwarzer +6
Up to now, the methods available for measuring the rate constants of reactions taking place on heterogeneous catalysts require that the catalyst be stable over long measurement tim…
UV photodissociation of methyl bromide and methyl bromide cation studied by velocity map imaging
Valerie Blanchet, Peter C. Samartzis, Alec M. Wodtke
We employ the velocity map imaging technique to measure kinetic energy and angular distributions of state selected CH3 (v2=0,1,2,3) and Br (2P3/2,2P1/2) photofragments produced by…