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In the currently accepted models of the nonlinear optics, the nonlinear radiation was treated as the result of an infinitesimally thin polarization sheet layer, and a three layer model was generally employed. The direct consequence of this…

Chemical Physics · Physics 2016-08-29 De-sheng Zheng , Yuan Wang , An-an Liu , Hong-fei Wang

The contact value theorem was originally derived for Coulomb fluids of mobile charged particles in thermal equilibrium, in the presence of interfaces carrying a {\em uniform} surface charge density and in the absence of dielectric…

Statistical Mechanics · Physics 2025-03-03 Ladislav Šamaj

We theoretically study electrostatic properties of electric double layer using a generalized Poisson-Boltzmann approach taking into account the orientational ordering of water dipoles and the excluded volume effect of water molecules as…

Soft Condensed Matter · Physics 2022-02-14 Jun-Sik Sin , Song-Jin Im , Kwang-Il Kim

Second-Harmonic Scatteringh (SHS) experiments provide a unique approach to probe non-centrosymmetric environments in aqueous media, from bulk solutions to interfaces, living cells and tissue. A central assumption made in analyzing SHS…

Chemical Physics · Physics 2017-08-15 Chungwen Liang , Gabriele Tocci , David Wilkins , Andrea Grisafi , Sylvie Roke , Michele Ceriotti

In this work the role that charge delocalization plays in the non-linear optical response of ionic liquids is evaluated. The first hyperpolarizability for the non-linear process of second harmonic generation (SHG) and second…

Materials Science · Physics 2024-02-01 C. D. Rodriguez-Fernandez L. M. Varela , C. Schroder , E. Lopez Lago

Macromolecules based on dendritic or hyperbranched polyelectrolytes have been emerging as high potential candidates for biomedical applications. Here we study the charge and solvation structure of dendritic polyglycerol sulphate (dPGS) of…

Soft Condensed Matter · Physics 2020-10-09 Rohit Nikam , Xiao Xu , Matthias Ballauff , Matej Kanduč , Joachim Dzubiella

Sum frequency generation vibrational spectra of the water molecules at the NaF and KF aqueous solution surfaces showed significantly different spectral features and different concentration dependence. This result is the first direct…

Chemical Physics · Physics 2016-08-29 Ran-ran Feng , Hong-tao Bian , Yuan Guo , Hong-fei Wang*

Charged surfaces in contact with liquids containing ions are accompanied in equilibrium by an electric double layer consisting of a layer of electric charge on the surface that is screened by a diffuse ion cloud in the bulk fluid. This…

Soft Condensed Matter · Physics 2018-09-21 Jeffrey C. Everts , Miha Ravnik

In this communication we illustrate the occurrence of a recently reported new phenomenon of surface-charge amplification, SCA, (originally dubbed overcharging, OC), [Jimenez-Angeles F. and Lozada-Cassou M., J. Phys. Chem. B, 2004, 108,…

Soft Condensed Matter · Physics 2012-02-21 A. A. Chialvo , J. M. Simonson

In the present study, two schemes named face discernment and flux correction are proposed to achieve single-phase transportation of free charge in multiphase electrohydrodynamic(EHD) problems. Many EHD phenomena occur between air and…

Fluid Dynamics · Physics 2022-07-19 Qiang Liu , Jie Zhang , Jian Wu

Water at solid surfaces is key for many processes ranging from biological signal transduction to membrane separation and renewable energy conversion. However, under realistic conditions, which often include environmental and surface charge…

The charge state of dielectric surfaces in aqueous environments is of fundamental and technological importance. Here, we study the influence of dissolved molecular CO$_2$ on the charging of three, chemically different surfaces (SiO$_2$,…

Hydrogen is one of the most promising candidates for clean energy production. Photoelectrochemical devices look promising for the decomposition of the water molecule into 2H$_2$ + O$_2$. Oxynitrides, like the solid solution…

Materials Science · Physics 2024-10-07 R. C. Bastidas Briceño , V. I. Fernandez , R. E. Alonso

Simplified, classical models of water are an integral part of atomistic molecular simulations, especially in biology and chemistry where hydration effects are critical. Yet, despite several decades of effort, these models are still far from…

Chemical Physics · Physics 2015-01-13 Saeed Izadi , Ramu Anandakrishnan , Alexey V. Onufriev

Phase field models for two-phase flow with a surfactant soluble in possibly both fluids are derived from balance equations and an energy inequality so that thermodynamic consistency is guaranteed. Via a formal asymptotic analysis, they are…

Fluid Dynamics · Physics 2013-03-12 Harald Garcke , Kei Fong Lam , Björn Stinner

The capacitance of the electric double layer has potential applications in supercapacitors, and theoretical investigations of the double-layer capacitance in binary mixtures are important. In this work, we develop the theory of the electric…

Chemical Physics · Physics 2025-09-01 Yuki Uematsu

Electronic charge transfer at the atomic scale can reveal fundamental information about chemical bonding, but is far more challenging to directly image than the atomic structure. The charge density is dominated by the atomic nuclei, with…

Materials Science · Physics 2025-05-01 Christoph Hofer , Jacob Madsen , Toma Susi , Timothy J. Pennycook

Electric double layers (EDL) with counterions only, say electrons with the elementary charge $-e$, in thermal equilibrium at the inverse temperature $\beta$ are considered. In particular, we study the effect of the surface charge modulation…

Statistical Mechanics · Physics 2022-07-26 Ladislav Šamaj

This paper is concerned with inverse scattering of plane waves by a locally perturbed infinite plane (which is called a locally rough surface) with the modulus of the total-field data (also called the phaseless near-field data) at a fixed…

Numerical Analysis · Mathematics 2018-08-28 Xiaoxu Xu , Bo Zhang , Haiwen Zhang

We investigate the effects of image charges, interfacial charge discreteness, and surface roughness on spherical electric double layers in electrolyte solutions with divalent counter-ions in the setting of the primitive model. By using…

Soft Condensed Matter · Physics 2015-06-04 Zecheng Gan , Xiangjun Xing , Zhenli Xu