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The dynamics of ultrafast energy transfer to water clusters and to bulk water by a highly intense, sub-cycle THz pulse of duration $\approx$~150~fs is investigated in the context of force-field molecular dynamics simulations. We focus our…

原子与分子团簇 · 物理学 2016-07-11 Pankaj Kr. Mishra , Oriol Vendrell , Robin Santra

Friction is one of the main sources of dissipation at liquid water/solid interfaces. Despite recent progress, a detailed understanding of water/solid friction in connection with the structure and energetics of the solid surface is lacking.…

介观与纳米尺度物理 · 物理学 2015-03-19 Gabriele Tocci , Laurent Joly , Angelos Michaelides

Understanding the dynamic nature of the semiconductor-water interface is crucial for developing efficient photoelectrochemical water splitting catalysts, as it governs reactivity through charge and mass transport. In this study, we employ…

化学物理 · 物理学 2024-05-03 Sagarmoy Mandal , Tushar Kanti Ghosh

We use transient absorption spectroscopy to monitor the ionization and dissociation products following two-photon excitation of pure liquid water. The two decay mechanisms occur with similar yield for an excitation energy of 9.3 eV, whereas…

化学物理 · 物理学 2009-11-13 Christopher G. Elles , Ilya A. Shkrob , Robert A. Crowell , Stephen E. Bradforth

Hydrogen bonding interactions between biological chromophores and their surrounding protein and solvent environment significantly affect the photochemical pathways of the chromophore and its biological function. A common first step in the…

Using modified Arrhenius approximations, the activation energies of water, alcohols, and hexane structure rearrangement reactions responsible for temperature dependences of their dynamic and dielectric characteristics were determined. The…

化学物理 · 物理学 2021-01-19 Alexander Kholmanskiy

We present results on the rates of interlayer energy transfer between excitons in two-dimensional transition metal dichalcogenides (TMDs). We consider both radiative (mediated by real photons) and non-radiative (mediated by virtual photons)…

介观与纳米尺度物理 · 物理学 2016-04-22 Christina Manolatou , Haining Wang , Weimin Chan , Sandip Tiwari , Farhan Rana

When irradiated with violet light, hexaazatrinaphthylene (HATN) extracts a hydrogen atom from an alcohol forming a long-living hydrogenated species. The apparent kinetic isotope effect for fluorescence decay time in deuterated methanol…

化学物理 · 物理学 2022-05-30 Olaf Morawski , Paweł Gawryś , Jarosław Sadło , Andrzej L. Sobolewski

Recent experiments demonstrated that interfacial water dissociation (H2O = H+ + OH-) could be accelerated exponentially by an electric field applied to graphene electrodes, a phenomenon related to the Wien effect. Here we report an…

In this study,we combined time-resolved terahertz spectroscopy along with transient absorption spectroscopy to revisit the interlayer non-equilibrium carrier dynamics in largely lateral size Gr/MoS2 heterostructure fabricated with chemical…

The photothermal properties of MXenes originate from their high free electron concentration, which drives localized surface plasmon resonance (LSPR). However, their intrinsic electron concentration is limited by suboptimal d-orbital…

材料科学 · 物理学 2025-07-09 Haoming Ding , Xiao Tong , Yong Zhang

The interfacial behaviour of water remains a central question to fields as diverse as protein folding, friction and ice formation[1,2]. While the structural and dynamical properties of water at interfaces differ strongly from those in the…

Hydration or interfacial water present in biomolecules and inorganic solids have been shown to exhibit a dynamical transition upon supercooling. However, an understanding of the extent of the underlying surface hydrophilicity as well as the…

软凝聚态物质 · 物理学 2020-08-26 Rajasekaran M , K. Ganapathy Ayappa

Photosynthesis is nature's route to convert intermittent solar irradiation into storable energy, while its use for an industrial energy supply is impaired by low efficiency. Artificial photosynthesis provides a promising alternative for…

Improving interfacial thermal transport is crucial for heat dissipation in systems. Here, we design a strategy by utilizing the water adsorption-desorption process in porous metal-organic frameworks (MOFs) to tune the interfacial heat…

材料科学 · 物理学 2023-02-24 Guang Wang , Hongzhao Fan , Jiawang Li , Zhigang Li , Yanguang Zhou

Efficient thermal transport across solid-liquid interfaces is essential for optimizing heat dissipation in modern technological applications. This study employs molecular dynamics (MD) simulations to investigate the impact of surface…

原子与分子团簇 · 物理学 2025-11-27 Viktor Mandrolko , Konstantinos Termentzidis , David Lacroix , Mykola Isaiev

Strongly bound excitons confined in two-dimensional (2D) semiconductors are dipoles with a perfect in-plane orientation. In a vertical stack of semiconducting 2D crystals, such in-plane excitonic dipoles are expected to efficiently couple…

Interface engineering is one of the promising strategies for the long-term stabilization of perovskite solar cells, preventing chemical decomposition induced by external agents and promoting fast charge transfer. Recently, MXenes-2D…

New X-ray and neutron diffraction experiments have been performed on ethanol-water mixtures as a function of decreasing temperature, so that such diffraction data are now available over the entire composition range. Extensive molecular…

软凝聚态物质 · 物理学 2021-08-05 Szilvia Pothoczki , Ildikó Pethes , László Pusztai , László Temleitner , Koji Ohara , Imre Bakó

High light absorption (~15%) and strong photoluminescence (PL) emission in monolayer (1L) transition metal dichalcogenide (TMD) make it an ideal candidate for optoelectronic applications. Competing interlayer charge (CT) and energy transfer…