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We investigate the dynamics of water confined in soft ionic nano-assemblies, an issue critical for a general understanding of the multi-scale structure-function interplay in advanced materials. We focus in particular on hydrated…
The transverse momentum anisotropy of the particles produced in heavy ion collisions is one of the most important experimental observable to investigate the collective behavior of the systems created in such collisions. Recent studies show…
The integrated HydroKinetic Model (iHKM) is applied to analyse the results of direct photon spectra as well as elliptic and triangular flow measurements in 200A GeV Au+Au collisions at RHIC for different centrality bins. Experiments detect…
Imidazole is a promising anhydrous proton conductor with a high conductivity comparable to that of water at a similar temperature relative to its melting point. Previous theoretical studies of the mechanism of proton transport in imidazole…
Aqueous solutions of HF and HCl behave very differently at intermediate concentrations: HCl dissociates completely, whereas HF remains only partially dissociated and forms bifluoride (HF$_2^-$). This should lead to different excess-proton…
A 3-fluid hydrodynamic model for simulating relativistic heavy-ion collisions is introduced. Alongside with two baryon-rich fluids, the new model considers time-delayed evolution of a third, baryon-free (i.e. with zero net baryonic charge)…
Heterostructures of 2D materials offer a fertile ground to study ion transport and charge storage. Here we employ ab initio molecular dynamics to examine the proton-transfer/diffusion and redox behavior in a water layer confined in the…
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…
We demonstrate the consistency of the quark deconfinement phase transition parameters in the beta-stable neutron star matter and in the nearly symmetric nuclear matter formed in heavy-ion collisions (HICs). We investigate the proton and…
The process of protons transport in molecular water chains is of fundamental interest for many biological systems. Although many features of such systems can be analyzed using large-scale computational modeling, other features are better…
Graphitic carbon nitride ($g$-CN) has attracted vast interest as a promising inexpensive metal-free photocatalyst for water splitting with solar photons. The heptazine (Hz) molecule is the building block of graphitic carbon nitride. The…
Water is often viewed as a collection of monomers interacting electrostatically with each other. We compare the water proton momentum distributions from recent neutron scattering data with those calculated from two electronic structure…
Protons at the water/vapor interface are relevant for atmospheric and environmental processes, yet to characterize their surface affinity on the quantitative level is still challenging. Here we utilize phase-sensitive sum-frequency…
Density-functional theory calculations are performed to investigate hydrogen transport in the proton conductor BaSnO$_3$. Structural optimizations in the stable and saddle point configurations for transfer and reorientation allow…
Titanium based-perovskites have got surprising attraction due to their environmentfriendly photocatalysts behavior. The Rietveld refinement of X-ray diffraction (XRD) pattern authenticates the orthorhombic Pnma structure of Pr2MgTiO6 (PMT).…
We investigate the physical mechanisms governing the continuous transition from the droplet-dominated to the ion-dominated regime in electrosprays of highly conducting liquids. We characterize electrosprays of four ionic liquids using…
We study the transverse momentum spectrum and the elliptic flow v2 of photons produced in Au+Au collisions at sqrt(s)=200 GeV using the Parton-Hadron-String Dynamics (PHSD) transport approach. As sources for photon production, we…
Ultrafast light-matter interaction has emerged as a powerful tool to control and probe the macroscopic properties of functional materials, especially two-dimensional transition metal dichalcogenides which can form different structural…
In this paper, we investigate the hydrodynamic collectivity in proton--proton (pp) collisions at 13 TeV, using iEBE-VISHNU hybrid model with HIJING initial conditions. With properly tuned parameters, our model simulations can remarkably…
Predicting practical rates of ion transport from atomistic descriptors enables the rational design of materials, devices, and processes, which is especially critical to developing low-carbon energy technologies such as rechargeable…