Related papers: Mediation of hydrogen-bond coupling interactions b…
We present a model for the description of orientational relaxation in hydrogen-bonding liquids. The model contains two relaxation parameters which regulate the intensity and efficiency of dissipation, as well as the memory function which is…
Reversible covalent or supramolecular bonds play an important role in materials science and in biological systems. The equilibrium between open and closed bonds and the association rate can be controlled thermally, chemically, by mechanical…
Hydrogen bonding plays a role in the microphase separation behavior of many block copolymers, such as those used in lithography, where the stronger interactions due to H-bonding can lead to a smaller period for the self-assembled…
Orbital Kondo effect is treated in a model, where additional to the conduction band there are localized orbitals close to the Fermi energy. If the hopping between the conduction band and the localized heavy orbitals depends on the…
The one dimensional model for the dynamic of hydrogen in lithium niobate is explained by adopting Morse potential. The diffused hydrogen substitutes Lithium and it makes bonding with one oxygen atom of a facet of oxygen-triangle. The bonds…
The physical nature and the correct definition of hydrogen bond (H-bond) are considered.\,\,The influence of H-bonds on the thermodynamic, kinetic, and spectroscopic properties of water is analyzed.\,\,The conventional model of H-bonds as…
We present a probabilistic approach to water-water hydrogen bonding that allows one to obtain an analytic expression for the number of bonds per water molecule as a function of both its distance to a hydrophobic particle and hydrophobe…
Here we show that the Coulomb interaction between violations of the Bernal-Fowler rules leads to a temperature induced step-wise increase in their concentration by 6-7 orders of magnitude. This first-order phase transition is accompanied by…
We resolved the hydrogen bond transition from the mode of ordinary water to its hydration in terms of its phonon stiffness (vibration frequency shift), order of fluctuation (line width), and number fraction (phonon abundance) upon chage…
Unlike conventional thought, the H-O bond is flexible, instead, and sensitive to perturbation. This exercise empowers the electron and phonon spectroscopies with the Tight-binding approach, enabling a referential database to synchronically…
Dense suspensions of hard particles in a liquid can exhibit strikingly counter-intuitive behavior, such as discontinuous shear thickening (DST) [1-8] and reversible shear jamming (SJ) into a state with finite yield stress [9-13]. Recent…
We study bipolaron formation and bipolaronic superconductivity on a square lattice, where electrons couple to both local Holstein phonons via on-site charge density and nonlocal bond Su-Schrieffer-Heeger phonons via modulation of hopping…
We present a 2D lattice model of water to study the effects of ion hydration on the properties of water. We map the water molecules as lattice particles consisting of a single Oxygen at the center of a site and two Hydrogen atoms on each…
Deciphering the interplay between confinement effects and intermolecular interactions in zeolites is crucial for understanding diverse diffusion behaviors of confined molecules. Recent studies explored the impact of water and CO$_2$ on…
A theoretical model for the effect of water hydrogen bonding on the thermodynamics of hydrophobic hydration is proposed as a combination of the classical density functional theory with the recently developed probabilistic approach to water…
The experimental data on the thermal conductivity of ortho-parahydrogen solutions are analyzed on the basis of a relaxation-time model taking account of configurational relaxation of the ortho subsystem. The influence of configurational…
For large-scale deployment and use of polymer electrolyte fuel cells, high-performance electrocatalysts with low platinum consumption are desirable. One promising strategy to meet this demand is to explore alternative materials that retain…
Hydrogen bonding is modeled in terms of virtual exchange of protons between water molecules. A simple lattice model is analyzed, using ideas and techniques from the theory of correlated electrons in metals. Reasonable parameters reproduce…
We investigate the one-dimensional Hubbard model with an additional bond-charge interaction, recently considered in the description of compounds that exhibit strong 1D features above the temperature of ordered phases. The partition function…
Periodic driving of optical lattices has enabled the creation of novel bandstructures not realizable in static lattice systems, such as topological bands for neutral particles. However, especially driven systems of interacting bosonic…