4 papers · 1 filter
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…
CH(A) Radical Formation in Coulomb Explosion from Butane Seeded Plasma Generated with Chirp-Controlled Ultrashort Laser Pulses
Karoly Mogyorosi, Balint Toth, Krisztina Sarosi +12
We experimentally studied the formation of CH(A) radicals in butane seeded plasma generated with chirp-controlled ultrashort laser pulses (\(\sim 760 \, μ\text{J}/\text{pulse}\), 8…
Fragmentation in Coulomb explosion of hydrocarbon molecules
Samuel S. Taylor, Kálmán Varga, Károly Mogyorósi +2
Fragmentation dynamics in the Coulomb explosion of hydrocarbons, specifically methane, ethane, propane, and butane, are investigated using time dependent density functional theory…