53 citations · 386 across the 25 of their papers we have counts for
7 papers · 1 filter
Trajectory sampling and finite-size effects in first-principles stopping power calculations
Alina Kononov, Thomas Hentschel, Stephanie B. Hansen +1
Real-time time-dependent density functional theory (TDDFT) is presently the most accurate available method for computing electronic stopping powers from first principles. However,…
Electron dynamics in extended systems within real-time time-dependent density functional theory
Alina Kononov, Cheng-Wei Lee, Tatiane Pereira dos Santos +10
Due to a beneficial balance of computational cost and accuracy, real-time time-dependent density functional theory has emerged as a promising first-principles framework to describe…
First-principles simulation of light-ion microscopy of graphene
Alina Kononov, Alexandra Olmstead, Andrew D. Baczewski +1
The extreme sensitivity of 2D materials to defects and nanostructure requires precise imaging techniques to verify presence of desirable and absence of undesirable features in the…
Anomalous stopping and charge transfer in proton-irradiated graphene
Alina Kononov, André Schleife
We use first-principles calculations to uncover and explain a new type of anomalous low-velocity stopping effect in proton-irradiated graphene. We attribute a shoulder feature that…
Real-time exciton dynamics with time-dependent density-functional theory
Jiuyu Sun, Cheng-Wei Lee, Alina Kononov +2
Linear-response time-dependent density-functional theory (TDDFT) can describe excitonic features in the optical spectra of insulators and semiconductors, using exchange-correlation…
Electron cascades and secondary electron emission in graphene under energetic ion irradiation
Henrique Vázquez, Alina Kononov, Andreas Kyritsakis +3
Highly energetic ions traversing a two-dimensional material such as graphene produce strong electronic excitations. Electrons excited to energy states above the work function can g…