相关论文: Hole interactions with molecular vibrations on DNA

We propose that supercoiling energizes double-stranded DNA (dsDNA) so as to facilitate thermal fluctuations to an unzipped state. We support this with a model of two elastic rods coupled via forces that represent base pair interactions.…

The vibrational dynamics of a DNA molecule with counterions neutralizing the charged phosphate groups have been studied. With the help of elaborated model the conformational vibrations of the DNA double helix with alkaline metal ions have…

We use spectral hole burning to investigate spin dynamics within the electronic Zeeman sublevels of the ground state of the erbium ions in erbium-doped fibers (EDF). Conducted at ultra-low temperatures and under varying magnetic fields, our…

DNA is now firmly established as a versatile and robust platform for achieving synthetic nanostructures. While the folding of single molecules into complex structures is routinely achieved through engineering basepair sequences, much less…

We use first-principles computational methods to examine hole trapping in organic molecular crystals. We present a computational scheme based on the tuning of the fraction of exact exchange in hybrid density functional theory to eliminate…

We study the formation and decay of electron-hole droplets in diamonds at both low and high temperatures under different excitations by master equations. The calculation reveals that at low temperature the kinetics of the system behaves as…

We report the properties of a novel type of sub-proton scale magnetic hole found in two dimensional PIC simulations of decaying turbulence with a guide field. The simulations were performed with a realistic value for ion to electron mass…

DNA melting and hybridization is a fundamental biological process as well as a crucial step in many modern biotechnology applications. DNA confined on surfaces exhibits different behavior from that in free solutions. The system of…

The closure of long equilibrated denaturation bubbles in DNA is studied using Brownian dynamics simulations. A minimal mesoscopic model is used where the double-helix is made of two interacting bead-spring freely rotating strands, with a…

We develop a quantitative model of ionization processes in biological tissues under Ultra High Dose Rate (UHDR) radiation. The underlying conjecture is that of electron-hole liquid (EHL) forming in water based substances of biological…

The issue of the nucleation and slow closure mechanisms of non superhelical stress-induced denaturation bubbles in DNA is tackled using coarse-grained MetaDynamics and Brownian simulations. A minimal mesoscopic model is used where the…

We study the combined impact of random disorder and electron-electron, and electron-hole interactions on the absorption spectra of a three-dimensional Hubbard Hamiltonian. We determine the single-particle Green's function within the typical…

The entanglement of coherently split electron-hole pairs in an electronic conductor is typically not considered accessible due to particle number conservation and fermionic super-selection rules. We demonstrate here that current…

We have investigated few-body states in vertically stacked quantum dots. Due to small inter-dot tunneling rate, the coupling in our system is in a previously unexplored regime where electron-hole exchange is the dominant spin interaction.…

Halide perovskites exhibit slow rates of non-radiative electron-hole recombination upon illumination. Chu et al. [Sci. Adv. 6 7, eaaw7453 (2020)] use the results of first-principles simulations to argue that this arises from the nature of…

Thermal oscillations of base pairs in the Peyrard-Bishop-Holstein model are simulated by stochastic fluctuations of base overlap integrals. Numerical investigation of the model is carried out for a hole transfer in $G_1A_2G_3G_4$ sequence…

We present a theoretical model for the dynamics of an electron that gets trapped by means of decoherence and quantum interference in the central quantum dot (QD) of a semiconductor nanoring (NR) made of five QDs, between 100 K and 300 K.…

Photoassociation of a pair of cooled atoms by excitation with a short chirped laser pulse creates a dynamical hole in the initial continuum wavefunction. This hole is manifested by a void in the pair wavefunction and a momentum kick.…

The fast nonradiative decay of multiexcitonic states via Auger recombination is a fundamental process affecting a variety of applications based on semiconductor nanostructures. From a theoretical perspective, the description of Auger…

Using many-body perturbation theory and density functional perturbation theory, we study the vibrational spectra of the internal stretch (IS) mode of CO on Pd(111) for the bridge and hollow adsorption structures that are experimentally…