Related papers: Scalable Surface Area Characterization by Electrok…
The interaction between surface patches of proteins with different surface properties has a vital role to play driving conformational changes of proteins in different salt solutions. We demonstrate the existence of ion-specific attractive…
We have studied the response of surface properties and swelling behaviors of annealed poly(2-vinyl pyridine) (P2VP) brushes covalently tethered to solid planar surfaces to divalent salts in aqueous solutions at varied pH values. Results…
Surface properties of mixtures of charged platelike colloids and salt in contact with a charged planar wall are studied within density functional theory. The particles are modeled by hard cuboids with their edges constrained to be parallel…
Axion-like particles (ALPs) are a well-motivated dark matter candidate that solve some of the problems in the clustering of large scale structure in cosmology. ALPs are often described by a simplified quadratic potential to specify the…
We calculate the ion and composition distributions around colloid particles in an aqueous mixture, accounting for preferential adsorption, electrostatic interaction, selective solvation among ions and polar molecules, and…
We develop and verify a phase-sensitive second harmonic generation spectroscopic scheme that allows for direct determination of the absolute surface charge density and surface potential of a water interface without need of prior interfacial…
Localizing acoustic sound sources in the ocean is a challenging task due to the complex and dynamic nature of the environment. Factors such as high background noise, irregular underwater geometries, and varying acoustic properties make…
Treating water as a linearly responding dielectric continuum on molecular length scales allows very simple estimates of solvation structure and thermodynamics for charged and polar solutes. While this approach can successfully account for…
In previous work on adsorbate-induced surface core level shifts (SCLSs), the effects caused by O atom adsorption on Rh(111) and Ru(0001) were found to be additive: the measured shifts for first layer Ru atoms depended linearly on the number…
Different electron acceleration regimes in the evanescent field of a surface plasma wave are studied by considering the interaction of a test electron with the high-frequency electromagnetic field of a surface wave. The non-relativistic and…
We propose a novel Bayesian framework for changepoint detection in large-scale spherical spatiotemporal data, with broad applicability in environmental and climate sciences. Our approach models changepoints as spatially dependent…
An accurate prediction of the surface potential at the air-water interface is critical to calculating ion hydration free energies and electrochemical half-cell potentials. Using Density Functional Theory (DFT), model interfacial…
Over the past two decades synchrotron facilities dedicated to the generation of x-rays for study of atoms, molecules and condensed matter have proliferated all over the world. As a result of the special properties of x-rays produced by…
We use a density functional approach to calculate the contact angle of the water model on a heterogeneous, graphite-like surface. The surface heterogeneity results from the pre-adsorption of a layer of spherical species. The pre-adsorbed…
Microscopic surface diffusivity theory based on atomic ionization energy concept is developed to explain the variations of the atomic and displacement polarizations with respect to the surface diffusion activation energy of adatoms in the…
We point out how geometric features affect the scaling properties of non-equilibrium dynamic processes, by a model for surface growth where particles can deposit and evaporate only in dimer form, but dissociate on the surface. Pinning…
Using renormalized field theory, we examine the dynamics of a growing surface, driven by an obliquely incident particle beam. Its projection on the reference (substrate) plane selects a ``parallel'' direction, so that the evolution equation…
Ultracold atoms are increasingly used for high precision experiments that can be utilized to extract accurate scattering properties. This calls for a stronger need to improve on the accuracy of interatomic potentials, and in particular the…
A rigorous analytical study of the eigenmodes supported by a charge accumulation layer within a transparent conductive oxide (TCO) is presented. The new class of surface plasmons termed Accumulation-Layer Surface Plasmon (ASP) is…
A central challenge in computational catalysis is the identification of low-energy and chemically plausible adsorption configurations, as these directly affect adsorption energies, reaction pathways, and catalytic performance. Existing…