相关论文: Zwitterions Layer at but Do Not Screen Electrified…
The structure of the adsorbed layer of alkali ions on the surface of colloidal silica solutions with a particle size of ~27 nm has been studied by reflectometry and diffuse scattering of synchrotron radiation with a photon energy of about…
We apply the scattering approach to the Casimir interaction between two dielectric half-spaces separated by an electrolyte solution. We take the nonlocal electromagnetic response of the intervening medium into account, which results from…
Non-resonant second harmonic generation phase and amplitude measurements obtained from the silica:water interface at varying pH and 0.5 M ionic strength point to the existence of a nonlinear susceptibility term, which we call chi(3)X, that…
Whether or not specific ion effects determine the charge storage properties of aqueous graphene and graphite-based supercapacitors remains a highly debated topic. In this work we present a multiscale quantum mechanics classical molecular…
Electron correlation effects are studied in ZrSiS using a combination of first-principles and model approaches. We show that basic electronic properties of ZrSiS can be described within a two-dimensional lattice model of two nested square…
We introduce a model for zwitterionic monolayers and investigate its tribological response to changes in applied load, sliding velocity, and temperature by means of molecular-dynamics simulations. The proposed model exhibits different…
We perform computational investigations of electrolyte-mediated interactions of charged colloidal particles confined within nanochannels. We investigate the role of discrete ion effects, valence, and electrolyte strength on colloid-wall…
The monolithic tandem integration of third-generation solar energy materials on silicon holds great promise for photoelectrochemistry and photovoltaics. However, this can be challenging when it involves high-temperature reactive processes,…
Lithium zirconium chlorides (LZCs) present a promising class of cost-effective solid electrolyte for next-generation all-solid-state batteries. The unique crystal structure of LZCs plays a crucial role in facilitating lithium-ion mobility,…
This paper is a simulation based investigation of the effect of elastic collisions and effectively elastic-like excitation collisions between electrons and background neutrals on the dynamics of a cylindrically trapped electron cloud that…
By a combination of Monte Carlo simulations and analytical calculations, we investigate the effective interactions between highly charged planar interfaces, neutralized by mobile counterions (salt-free system). While most previous analysis…
Nanoscaling interstitial metal hydrides offers opportunities for hydrogenation applications by enhancing kinetics, increasing surface area, and allowing for tunable properties. The introduction of interfaces impacts hydrogen absorption…
We investigated stability and the electronic structure of extended defects including anti-site domain boundaries and stacking faults in the kesterite-structured semiconductors, Cu$_2$ZnSnS$_4$ (CZTS) and Cu$_2$ZnSnSe$_4$ (CZTSe). Our hybrid…
It has been observed in fossil tracks and experiments in the layered silicate mica muscovite the transport of charge through the cation layers sandwiched between the layers of tetrahedra-octahedra-tetrahedra. A classical model for the…
Interface engineering is an extremely useful tool for systematically investigating materials and the various ways materials interact with each other. We describe different interface engineering strategies designed to reveal the origin of…
Conjugated polymer-based organic electrochemical transistors (OECTs) are being studied for applications ranging from biochemical sensing to neural interfaces. While new conjugated polymers are being developed that can interface digital…
Excitonic insulator is a coherent electronic phase that results from the formation of a macroscopic population of bound particle-hole pairs - excitons. With only a few candidate materials known, the collective excitonic behavior is…
Due to their favorable properties and high porosity, zeolitic imidazolate frameworks (ZIFs) have recently received much limelight for key technologies such as energy storage, optoelectronics, sensorics, and catalysis. Despite the widespread…
Spatial interaction effects between charge carriers in ionic systems play a sizable role beyond a classical Maxwellian description. We develop a nonlocal, two-fluid, hydrodynamic theory of charges and study ionic plasmon effects, i. e.…
Hydrodynamic behavior at the vicinity of a confining wall is closely related to the friction properties of the liquid/solid interface. Here we consider, using Molecular Dynamics simulations, the electric contribution to friction for charged…