Related papers: Molecular Dynamics Study of Plasmon-Mediated Chemi…
Accurate description of nonadiabatic dynamics of molecules at metal surfaces involving electron transfer has been a longstanding challenge for theory. Here, we tackle this problem by first constructing high-dimensional neural network…
Accurate simulation of the non-adiabatic dynamics of molecules in excited electronic states is key to understanding molecular photo-physical processes. Here we present a novel method, based on a semiclassical approximation, that is as…
We demonstrate that ultrafast carrier excitation can drastically affect electronic structures and induce brief surface plasmonic response in non-plasmonic metals, potentially creating a plasmonic switch. Using first-principles molecular…
When the interaction between a molecular system and confined light modes in an optical or plasmonic cavity is strong enough to overcome the dissipative process, hybrid light-matter states (polaritons) become the fundamental excitations in…
Transition metal complexes for photochemical applications often feature a high density of electron-vibrational states characterized by nonadiabatic and spin-orbit couplings. Overall, the dynamics after photoexcitation is shaped by rapid…
We employ nonlinear autocorrelation measurements to investigate plasmon-assisted hot carrier dynamics generated in optical gold antennas. We demonstrate that surface plasmons enable a nonlinear formation of hot carriers, providing thus a…
The illumination of catalytic surfaces with a continuous or pulsed stream of photons dynamically modulates surface chemistry for faster rates, higher conversion, or product selectivity control. To establish fundamental principles of dynamic…
Surface plasmon mediated hot carrier generation is widely utilized for the manipulation of the electron-photon interactions in many types of optoelectronic devices including solar cells, photodiodes, and optical modulators. A diversity of…
When the interaction between a molecular system and confined light modes in an optical or plasmonic cavity is strong enough to overcome the dissipative process, hybrid light-matter states (polaritons) emerge as the fundamental excitations…
The damping of surface plasmons generates hot carriers, which holds promise for photoelectric conversion and photocatalysis. Recent studies have revealed the nonequilibrium characters of the plasmonic hot carriers and their nonadiabatic…
We analyze ultrafast electron dynamics in the time domain upon optical excitation of propagating surface plasmon-polaritons (SPs) in metal-dielectric heterostructures. Developing a kinetic model where both local and non-local electron…
In this paper, we explore osmotic transport by means of molecular dynamics (MD) simulations. We first consider osmosis through a membrane, and investigate the reflection coefficient of an imperfectly semi-permeable membrane, in the dilute…
We analyse recently measured nonlinear photoemission spectra from Ag surfaces that reveal resonances whose energies do not scale with the applied photon energy but stay pinned to multiples of bulk plasmon energy $\hbar\omega_p$ above the…
In recent years, plasmonic nanocavities have emerged as powerful tools for controlling and enhancing light-matter interactions at the nanoscale. This study explores the role of plasmonic nanocavities in manipulating nonadiabatic dynamics,…
Nanoparticle surface structure and geometry generally dictate where chemical transformations occur, with the low-coordination-number, high-radius-of-curvature sites being energetically-preferred. Here, we show how optical excitation of…
In the realm of plasmonic catalytic systems, much attention has been devoted to the plasmon-derived mechanisms, yet the influence of nanoparticles' crystal facets in this type of processes has been sparsely investigated. In this work, we…
Collective modes in Fermi liquids are usually regarded as dissipation channels that relax electronic excitations through Landau damping. Whether such modes can instead mediate the formation of correlated electronic states under…
Bio-compatible Au nanoparticles exhibit great advantages in the application of biomedical researches, such as bio-sensing, medical diagnosis, and cancer therapy. Bio-molecules can even be manipulated by laser tweezers with the optically…
Photoreduction of carbon dioxide (CO$_2$) on plasmonic structures is of great interest in photocatalysis to aid selectivity. While species commonly found in reaction environments and associated intermediates can steer the reaction down…
Plasmons can drive chemical reactions by directly exciting intramolecular transitions. However, strong coupling of plasmons to single molecules remains a challenge as ultra-small mode volumes are required. In the presented work, we propose…