Related papers: Atomic and electronic structures of stable linear …
Charge transport processes at interfaces which are governed by complex interfacial electronic structure play a crucial role in catalytic reactions, energy storage, photovoltaics, and many biological processes. Here, the first soft X-ray…
Measurements on the strong-field ionization of carbonyl sulfide molecules by short, intense, 2~\um wavelength laser pulses are presented from experiments where angle-resolved photoelectron distributions were recorded with a high-energy…
Binding and phase behavior of oppositely charged polyelectrolytes and surfactants were studied in aqueous bulk solutions and at air-water interfaces. In particular, we have investigated the polyanion poly(sodium 4-styrenesulfonate) (NaPSS)…
We have observed an aggregation of carbon or carbon derivatives on platinum and natively oxidized silicon surfaces during STM measurements in ultra-high vacuum on solvent-cleaned samples previously structured by e-beam lithography. We have…
We present the first-ever implementation and benchmark of periodic algebraic diagrammatic construction theory (ADC) for core-ionized states and X-ray photoelectron spectra (XPS) in crystalline materials. Using a triple-zeta Gaussian basis…
Electron tomography has become a commonly used tool to investigate the three-dimensional (3D) structure of nanomaterials, including colloidal nanoparticle assemblies. However, electron microscopy is typically carried out under high vacuum…
The preparation of Ag 2+x Se thin films with thicknesses between 4 nm and 3000 nm by pulsed laser deposition on single crystalline NaCl and MgO substrates is reported. The films are perfectly dense and show a good lateral uniformity with a…
Ag(I)-Bi(III)-based semiconductors have gained substantial attention as nontoxic, stable alternatives to lead-halide perovskites for optoelectronics, but are widely limited by carrier localization, which severely restricts diffusion…
Laser ablation in liquid (LAL) is important technique used for formation of nanoparticles (NP). The LAL processes cover logarithmically wide range of spatiotemporal scales and is not fully understood. The NP produced by LAL are rather…
We report on the development of an original mesoscopic lattice model to predict structural, dynamical and capacitive properties of carbon-carbon supercapacitors. The model uses input from molecular simulations, such as free energy profiles…
It is demonstrated that velocity selective optical pumping/saturation resonances of reduced absorption in a Rb vapor nanocell with thickness \textit{L=} $\lambda $, 2$\lambda $, and 3$\lambda $ (resonant wavelength $\lambda $ = 780 nm)…
The electronic band structure of a liquid metal was investigated by measuring precisely the evolution of angle-resolved photoelectron spectra during the melting of a Pb monolayer on a Si(111) surface. We found that the liquid monolayer…
The electronic structure of Sr0.35CoO2, structurally analogous to the layered NaxCoO2, has been evaluated using the local spin density approximation (LSDA). We find that evident c-dispersions appear in both the e'g and a1g Co-derived bands,…
A brief review of the SIESTA project is presented in the context of linear-scaling density-functional methods for electronic-structure calculations and molecular-dynamics simulations of systems with a large number of atoms. Applications of…
We study theoretically the quantum dynamics of nitrogen molecules (N$_2$) exposed to intense and ultrafast x-rays at a wavelength of 1.1 nm (1100 eV photon energy) from the Linac Coherent Light Source (LCLS) free electron laser. Molecular…
We demonstrate a quantitative broadband fiber sensor, based on evanescent field sensing in the cladding holes of an air-suspended solid-core photonic crystal fiber. We discuss the fabrication process, together with the structural- and…
Molecular materials enable a vast variety of functionalities for novel electronic and spintronic devices. The unique possibility to alter or substitute organic molecules or metallic substrates offers the opportunity to modify and optimize…
The first-principles calculations have been performed to investigate the ground state properties of cubic scandium trifluoride (ScF$_3$) perovskite. Using modified hybrid exchange-correlation functionals within the density functional theory…
Possibility for the formation of stable Al atomic wire on the Si(211) surface is investigated using density functional theory based total energy calculations. The stable adsorption sites and the surface structures at various sub-monolayer…
The specific optical nonlinearities inherent in aggregates of metal nanoparticles under pico- and nanosecond pulsed laser irradiation are studied in nanoparticle aggregates formed in silver hydrosols. The results of experimental studies of…