4 papers
Ab initio study of highly charged ion-induced Coulomb explosion imaging
Misa Viveiros, Samuel S. Taylor, Cody Covington +1
We present a theoretical investigation of ion-induced Coulomb explosion imaging (CEI) of pyridazine molecules driven by energetic C projectiles, using time-dependent density…
Low-energy proton impact dynamics on hydrocarbons: Dependence on kinetic energy and incident site
Misa Viveiros, Roy Lau, Samuel S. Taylor +4
The dynamics of low-energy proton collisions with hydrocarbon with hydrocarbon molecules are investigated using real-time time-dependent density functional theory. Through systemat…
Time-dependent density-functional study of hydrogen adsorption and scattering on graphene surfaces
Samuel S. Taylor, Nicholas Skoufis, Hongbo Du +2
Time-dependent density-functional theory simulations are performed to examine the effects of varying incident points and kinetic energies of hydrogen atom projectiles on a graphene…
Quantum effects of Coulomb explosion simulations revealed by time-dependent density-functional theory
Samuel S. Taylor, Cody Covington, Kálmán Varga
This study investigates the influence of quantum effects on Coulomb explosion dynamics using time-dependent density functional theory (TDDFT) simulations, comparing classical, semi…