Time-resolved plasmon-assisted generation of optical-vortex pulses

Autor: Esra Ilke Albar, Franco P. Bonafé, Valeriia P. Kosheleva, Sebastian T. Ohlmann, Heiko Appel, Angel Rubio

Publikováno v: Scientific Reports, Vol 13, Iss 1, Pp 1-9 (2023)

Abstract The microscopic mechanism of the light-matter interactions that induce orbital angular momentum (OAM) in electromagnetic fields is not thoroughly understood. In this work, we employ Archimedean spiral vortex generators in time-resolved numer

Externí odkaz: https://doaj.org/article/e6b33292c5074e90bde4e37a3eb6d4e8

Fano resonance and incoherent interlayer excitons in molecular van der Waals heterostructures

Autor: Carlos R. Lien-Medrano, Franco P. Bonafé, Chi Yung Yam, Carlos-Andres Palma, Cristián G. Sánchez, Thomas Frauenheim

Publikováno v: Nano Letters

Complex van der Waals heterostructures from layered molecular stacks are promising optoelectronic materials offering means to efficient, modular charge separation and collection layers. The effect of stacking in the electrodynamics of such hybrid org

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ac216576cc3808045dd48c6524189dfc
http://arxiv.org/abs/2108.07364

A Real-Time Time-Dependent Density Functional Tight-Binding Implementation for Semiclassical Excited State Electron-Nuclear Dynamics and Pump-Probe Spectroscopy Simulations

Autor: Franco P. Bonafé, Thomas Frauenheim, Carlos R. Medrano, Federico J. Hernández, Cristián G. Sánchez, Ben Hourahine, Bálint Aradi

Publikováno v: CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Journal of Chemical Theory and Computation

The increasing need to simulate the dynamics of photoexcited molecular and nanosystems in the sub-picosecond regime demands new efficient tools able to describe the quantum nature of matter at a low computational cost. By combining the power of the a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::de8586fee9db842b7bf55ea9b3494e4e
https://pubmed.ncbi.nlm.nih.gov/32511909

Simulation of Impulsive Vibrational Spectroscopy

Autor: Franco P. Bonafé, Thomas Frauenheim, Cristián G. Sánchez, Federico J. Hernández, Bálint Aradi

Publikováno v: The journal of physical chemistry. A. 123(10)

In the present work we applied a fully atomistic electron-nuclear real-time propagation protocol to compute the impulsive vibrational spectroscopy of the five DNA/RNA nucleobases in order to study the very first steps (subpicosecond) of their energy

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e983816fa52a17599e541738e2c6e7dc
https://pubmed.ncbi.nlm.nih.gov/30767532

Ultra-small rhenium clusters supported on graphene

Autor: Eduardo Larios-Rodríguez, Orlando Miramontes, Marcelo M. Mariscal, Franco P. Bonafé, Ulises Santiago, J. Jesús Velázquez-Salazar, Miguel Jose Yacaman

Publikováno v: CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET

The adsorption of very small rhenium clusters (2-13 atoms) supported on graphene was studied by high-angle annular dark field-scanning transmission electron microscopy (HAADF-STEM). The atomic structure of the clusters was fully resolved with the aid

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fcda7d3f7681e28d6a5236da42be5817
http://pubs.rsc.org/en/Content/ArticleLanding/2015/CP/C4CP05660D