Related papers: How does an external electrical field affect adsor…
We investigate ionization at a solid-water interface in applied electric field. We attach an electrode to a dielectric film bearing silanol or carboxyl groups with an areal density $\Gamma_0$, where the degree of dissociation $\alpha$ is…
While the small sticking coefficient for molecular hydrogen on the Si(001) surface apparently requires a large energy barrier of adsorption, no such barrier is observed in desorption experiments. We have calculated the potential-energy…
We study the dynamics of collisions between a pair of uncharged conducting droplets under the influence of a uniaxial compressional flow and an external electric field. The near-field asymptotic expression for the electric-field-induced…
Interfaces play a crucial role in energy transport at the nanoscale. However, direct experimental observations of interfacial thermal conductance across molecular junctions have remained challenging due to the high spatiotemporal resolution…
Diamond displays outstanding chemical, physical, and tribological properties, making it attractive for numerous applications ranging from biomedicine to tribology. However, the reaction of the materials with molecules present in the air,…
We use density functional theory (DFT) with the generalized gradient approximation (GGA) and our first-principles extrapolation method for accurate chemisorption energies {[Mason {\em et al.}, Phys. Rev. B {\bf 69}, 161401R (2004)]} to…
The charged anyon fluid in the presence of an externally applied constant and homogeneous magnetic field is investigated at temperatures larger than the energy gap ($T\gg \omega_{c}$). It is shown that the applied magnetic field…
Effects of interaction of graphene with electron donor and acceptor molecules have been investigated by employing Raman spectroscopy. The G band softens progressively with the increasing concentration of tetrathiafulvalene (TTF) which is an…
Metallic ion adsorption on surfactant aggregates were studied with Molecular dynamics simulations. Using ionic salts, such as lead sulfate (PbSO$_4$) and aluminum sulfate [Al$_2$(SO$_4$)$_3$], adsorption of lead and aluminum were…
Intense electrostatic fields, such as those able to break bonds and cause field-ion emission, can fundamentally alter the behaviour of atoms at and on the surface. Using density functional theory (DFT) calculations on the Li (110) surface…
The presence of sulfur atoms on the Pd(100) surface is known to hinder the dissociative adsorption of hydrogen. Using density-functional theory and the full-potential linear augmented plane-wave method, we investigate the potential energy…
The theory on the magnetic field energy absorption by metal nanoparticles of a nonspherical shape irradiated with ultrashort laser pulses of different duration is developed. The effect of both the particle surface and the particle shape on…
The decoherence of trapped-ion quantum gates due to heating of their motional modes is a fundamental science and engineering problem. This heating is attributed to electric-field noise arising from the trap-electrode surfaces. In this work,…
We have used the electric--field effect to modulate the resistivity of the surface of underdoped Sr$_{0.88}$La$_{0.12}$CuO$_{2+x}$ thin films, allowing opposite modifications of the electron and hole density in the CuO$_2$ planes, an…
We report on a study of the density response in doped Weyl semimetals or Weyl metals in the presence of an external magnetic field. We show that the applied field leads to a contribution to the density response, which is topological in…
The influence of external magnetic field $h$ on a static conductivity of Mott-Hubbard material which is described by model with correlated hopping of electrons has been investigated. By means of canonical transformation the effective…
The adsorption of the chiral molecule lactate on the intrinsically chiral noble metal surfaces Pt(321), Au(321) and Ag(321) is studied by Density Functional Theory calculations. We use the oPBE-vdW functional which includes van der Waals…
Recent experiments on the silicon terminated $3\times 2$ SiC(100) surface indicated an unexpected metallic character upon hydrogen adsorption. This effect was attributed to the bonding of hydrogen to a row of Si atoms and to the…
We present a quantitative exploration, combining experiment and simulation, of the mechanical and electronic properties, as well as the modifications induced by an alkylthiolated coating, at the single NP level. We determine the response of…
Although free electron models have been established in order to capture the essential physics of interfacial and bulk properties in metals, some issues still remain regarding the application of free electron models to thin metal films. One…