Related papers: Dichotomy between Level Broadening and Level Coupl…
We develop a simple model of shape resonances in electron-molecule collisions that is based on the modified effective-range expansion and analytical solutions of the Schrodinger equation for the long-range part of the interaction potential.…
We investigate theoretically polyelectrolyte bridging interactions on the two-body level. The model system is composed of two macroions with two oppositely charged flexible chains. The electrostatic interactions are treated on the Debye -…
From a structural point of view, plasmonic nanoparticles are always at least two-layer structures with a dielectric layer of stabilizing, targeting, fluorescent, Raman, or other functional molecules. To optimize the optical properties of…
We report a full self-consistent ab initio calculation of the current-voltage curve and the conductance of thiolate capped polyynes in contact with gold electrodes. We find the conductance of polyynes an order of magnitude larger compared…
We present a multiscale modeling approach that concurrently couples quantum mechanical, classical atomistic and continuum mechanics simulations in a unified fashion for metals. This approach is particular useful for systems where chemical…
Metalens, as the most promising and applicable emerging optical device, has long been constrained by the limited field of view (FOV). Recent studies employing phase engineering or multi-layer strategies have made some progress, but they all…
We consider eigenmodes of a ring resonator made of a circular dielectric waveguide. Taking into account the polarization corrections, which are responsible for the interaction of polarization and orbital properties of electromagnetic waves…
We study the interaction between two charge regulating spherical macroions with dielectric interior and dissociable surface groups immersed in a monovalent electrolyte solution. The charge dissociation is modelled via the…
We describe an application of Poincar\'e duality for completed homology spaces (as defined by Emerton) to level raising for p-adic modular forms. This allows us to give a new description of the image of Chenevier's p-adic Jacquet-Langlands…
We evaluate all the electron-phonon couplings derived from the one-body electronic interactions, in both the adiabatic and extreme non-adiabatic limit, for a dimer with a non-degenerate orbital built from atomic wave functions of Gaussian…
For the first time, the combination of experimental preparation and results of fully atomistic simulations of an oligoelectrolyte multilayer (OEM) made of poly(diallyl dimethyl ammonium chloride)/poly(styrene sulfonate sodium salt)…
Chemical vapor deposition (CVD) allows growing transition metal dichalcogenides (TMDs) over large surface areas on inexpensive substrates. In this work, we correlate the structural quality of CVD grown MoS$_2$ monolayers (MLs) on SiO$_2$/Si…
We theoretically investigate the electronic and magneto-optical properties of rectangular, hexangular, and triangular monolayer phosphorene quantum dots (MPQDs) utilizing the tight-binding method. The electronic states, density of states,…
Recent progress in large-area synthesis of monolayer molybdenum disulfide, a new two-dimensional direct-bandgap semiconductor, is paving the way for applications in atomically thin electronics. Little is known, however, about the…
The structural, electronic, and optical properties of twelve multicomponent oxides with layered structure, RAMO$_4$, where R$^{3+}$=In or Sc; A$^{3+}$=Al or Ga; and M$^{2+}$=Ca, Cd, Mg, or Zn, are investigated using first-principles density…
Here, we correlate the nanoscale morphology and chemical composition of solid electrolyte interphases (SEI) with the electrochemical property of graphite-based composite electrodes. Using electrochemical strain microscopy (ESM) and X-ray…
Here we use angle-resolved photoemission spectroscopy to study superconductivity that emerges in two extreme cases, from a Fermi liquid phase (LiFeAs) and an incoherent bad-metal phase (FeTe0.55Se0.45). We find that although the electronic…
Electron-phonon coupling in magic-angle twisted bilayer graphene is an important but difficult topic. We propose a scheme to simplify and understand this problem. Weighted by the coupling strength with the low-energy heavy electrons ($f$…
Bandedge states in the indirect-gap group-IV metal monochalcogenide monolayers ('four-six-enes' such as SnS, GeTe, etc.) inherit the properties of nearby reciprocal space points of high symmetry at the Brillouin zone edge. We employ group…
Epitaxial growth has become a promising route to achieve highly crystalline continuous two-dimensional layers. However, high-quality layer production with expected electrical properties is still challenging due to the defects induced by the…