Publications of F. Bonafé

Journal Article (8)

Journal Article
Time-resolved plasmon-assisted generation of optical-vortex pulses
Scientific Reports 13 (1), 14748 (2023)
Journal Article
First-Principles Simulations of Tip Enhanced Raman Scattering Reveal Active Role of Substrate on High-Resolution Images
The Journal of Physical Chemistry Letters 14 (30), 6850–6859 (2023)
Journal Article
Inelastic Light Scattering in the Vicinity of a Single-Atom Quantum Point Contact in a Plasmonic Picocavity
S. Liu, F. Bonafé, H. Appel, A. Rubio, M. Wolf, T. Kumagai
ACS Nano 17 (11), 10172–10180 (2023)
Journal Article
Dynamical evolution of the Schottky barrier as a determinant contribution to electron–hole pair stabilization and photocatalysis of plasmon-induced hot carriers
M. Berdakin, G. Soldano, F. Bonafé, V. Liubov, B. Aradi, T. Frauenheimde, C. G. Sánchez
Nanoscale 14 (7), 2816–2825 (2022)
Journal Article
Fano Resonance and Incoherent Interlayer Excitons in Molecular van der Waals Heterostructures
C. R. Lien-Medrano, F. Bonafé, C. Y. Yam, C.-A. Palma, C. G. Sánchez, T. Frauenheim
Nano Letters 22 (3), 911–917 (2022)
Journal Article
Quantitative sampling of atomic-scale electromagnetic waveforms
D. Peller, C. Roelcke, L. Z. Kastner, T. Buchner, A. Neef, J. Hayes, F. Bonafé, D. Sidler, M. Ruggenthaler, A. Rubio, R. Huber, J. Repp
Nature Photonics 15 (2), 143–147 (2021)
Journal Article
A Real-Time Time-Dependent Density Functional Tight-Binding Implementation for Semiclassical Excited State Electron–Nuclear Dynamics and Pump–Probe Spectroscopy Simulations
F. Bonafé, B. Aradi, B. Hourahine, C. R. Medrano, F. J. Hernández, T. Frauenheim, C. G. Sánchez
Journal of Chemical Theory and Computation 16 (7), 4454–4469 (2020)
Journal Article
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations
B. Hourahine, B. Aradi, V. Blum, F. Bonafé, A. Buccheri, C. Camacho, C. Cevallos, M. Y. Deshaye, T. Dumitrică, A. Dominguez, S. Ehlert, M. Elstner, T. van der Heide, J. Hermann, S. Irle, J. J. Kranz, C. Köhler, T. Kowalczyk, T. Kubař, I. S. Lee, V. Lutsker, R. J. Maurer, S. K. Min, I. Mitchell, C. Negre, T. A. Niehaus, A. M. N. Niklasson, A. J. Page, A. Pecchia, G. Penazzi, M. P. Persson, J. Řezáč, C. G. Sánchez, M. Sternberg, M. Stöhr, F. Stuckenberg, A. Tkatchenko, V. W.-z. Yu, T. Frauenheim
The Journal of Chemical Physics 152 (12), 124101 (2020)

Working Paper (1)

Working Paper
Tunable Tesla-scale magnetic attosecond pulses through ring-current gating
A. d. l. Heras, F. Bonafé, C. Hernández-García, A. Rubio, O. Neufeld

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