相关论文: Time-Resolved Emission Study of a Thiophene-Modifi…
Monolayer transition metal dichalcogenides (TMDs) show an optimal surface-to-volume ratio and are thus promising candidates for novel molecule sensor devices. It was recently predicted that a certain class of molecules exhibiting a large…
A new technique was developed to measure the lifetimes of neutron unbound nuclei in the picosecond range. The decay of 26O -> 24O+n+n was examined as it had been predicted to have an appreciable lifetime due to the unique structure of the…
We demonstrate that the decay rates of a fluorescent molecule can be controlled by electrically shifting a transparency introduced by a Fano resonance. An auxiliary quantum object (QO), located at the hotspot of a plasmonic nanoparticle,…
The Doyle-Fuller-Newman (DFN) model is a common mechanistic model for lithium-ion batteries. The reaction rate constant and diffusivity within the DFN model are key parameters that directly affect the movement of lithium ions, thereby…
The absorption and fluorescence properties in a class of oligothiophene push-pull biomarkers are investigated with a long-range-corrected (LC) density functional method. Using linear response time-dependent density functional theory…
Wettability plays a significant role in controlling multiphase flow in porous media for many industrial applications, including geologic carbon dioxide sequestration, enhanced oil recovery, and fuel cells. Microfluidics is a powerful tool…
We consider the two-dimensional quantum Ising model, in absence of disorder, subject to periodic imperfect global spin flips. We show by a combination of exact diagonalization and tensor-network methods that the system can sustain a…
In this work, we experimentally study the fluorescence decay of Acridine Orange at late times, in order to test whether a late-time power-law behaviour emerges, a feature expected to be very small but consistent with quantum mechanical and…
The momentum-dependent orbital character in crystalline solids, referred to as orbital texture, is of capital importance in the emergence of symmetry-broken collective phases such as charge density waves as well as superconducting and…
The photophysical properties of deoxyribonucleic acid (DNA) are fundamental to life sciences and biophotonics. While previous studies have generally been restricted to fluorescence, attributing it to pi-pi* transitions and charge transfer…
The development of analytic-gradient methodology for excited states within conventional time-dependent density-functional theory (TDDFT) would seem to offer a relatively inexpensive alternative to better established quantum-chemical…
The time-dependent surface flux method developed for the description of electronic spectra [L. Tao and A. Scrinzi, New J. Phys. 14, 013021 (2012); A. Scrinzi, New J. Phys. 14, 085008 (2012)] is extended to treat dissociation and…
We introduce ultrafast low-energy electron diffraction (ULEED) in backscattering for the study of structural dynamics at surfaces. Using a tip-based source of ultrashort electron pulses, we investigate the optically-driven transition…
The decomposition and chemical dynamics for vibrationally excited syn-CH$_3$CHOO is followed based on statistically significant numbers of molecular dynamics simulations. Using a neural network-based reactive potential energy surface,…
The time-dependent diffusion spreadability $\mathcal{S}(t)$ is a powerful dynamical probe of the microstructure of two-phase heterogeneous media across length scales [Torquato, S., \emph{Phys. Rev. E.}, 104 054102 (2021)]. It has been shown…
F\"orster theory describes electronic exciton energy migration in molecular assemblies as an incoherent hopping process between donor and acceptor molecules. The rate is expressed in terms of the overlap integral between donor fluorescence…
We quantify the excitonic coupling in the homodimer of dimeric Venus fluorescent protein using a quantum-classical hybrid workflow. Employing a transition-density coupling formalism, we calculate $J = 74.38~\mathrm{cm^{-1}}$, which is 5.6…
Monolayers of transition-metal dichalcogenides have shown that uniaxial strain changes both the photoluminescence emission energy and intensity. The changes are attributed to the band-structure evolution under tensile strain where both the…
We propose a novel approach to intrinsic decoherence without adding new assumptions to standard quantum mechanics. We generalize the Liouville equation just by requiring the dynamical semigroup property of time evolution and dropping the…
The formalism of density functional theory (DFT) can be easily extended to the time dependent case (TDDFT). However, while in the static case the theory is well established and is expected to be, at least in principle, an exact approach for…