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The electronic structure of the nanolaminated transition metal carbide Ti2AlC has been investigated by bulk-sensitive soft x-ray emission spectroscopy. The measured Ti L, C K and Al L emission spectra are compared with calculated spectra…

Core-level spectra of liquids can be difficult to interpret due to the presence of a range of local environments. We present computational methods for investigating core-level spectra based on the idea that both local structural parameters…

Surfaces covered with nanostructures, such as nanowire arrays, have shown to facilitate a significantly higher absorption of laser energy as compared to flat surfaces. Due to the efficient coupling of the laser energy, highly energetic…

We report on the near edge X-ray absorption fine structure (NEXAFS) spectroscopy of hybrid organic-inorganic resists. These materials are nonchemically amplified systems based on Si, Zr, and Ti oxides, synthesized from organically modified…

We provide an analytical solution to study the near field optical effect of a core-shell nanostructure in proximity to a flat surface, within quasi-static approximation. The distribution of electrostatic potential and field enhancement in…

Silver is considered to be the king among plasmonic materials because it features low inelastic absorption in the visible and infrared (vis-IR) spectral regions compared to other metals. In contrast, copper is commonly regarded as being too…

We have investigated the electronic structure of nano-sized iron oxide by scanning tunnelling microscopy (STM) and spectroscopy (STS) as well as by photoelectron spectroscopy. Nano particles were produced by thermal treatment of Ferritin…

This work reports a simple, novel, cost effective and eco-friendly electrolytic synthesis of silver nanoparticles using AgNO3 as metal precursor. The synthesis rate is much faster than other methods and this approach is suitable for large…

Solid-state dewetting phenomenon in silver thin films offers a straightforward method to obtain structures having controlled shape or size -this latter in principle spanning several orders of magnitudes -- with potentially strong interest…

Understanding the interaction between metal ions and their aqueous environment is fundamental in many areas of chemistry, biology, and environmental science. In this study, we investigate the electronic structure of hydrated calcium ions,…

In this review, we present our recent computational work on carbon-based nanostructured composites. These materials consist of carbon crystallites embedded in an amorphous carbon matrix and are modeled here through classical and…

Electrodes composed of activated carbon (AC) particles can desalinate water by ion electrosorption. To describe ion electrosorption mathematically, accurate models are required for the structure of the electrical double layers (EDLs) that…

Pitting corrosion is a much-studied and technologically relevant subject. However, the fundamental mechanisms responsible for the breakdown of the passivating oxide layer are still subjects of debate. Chloride anions are known to accelerate…

Here we develop a class off face centred cubic structure of metallic silver nanocrystals, to enable high ORR activity process. Silver nanoparticles deposited within different carbon supports: carboxylated-graphene, SiO2-doted reduced-…

We use JWST/MIRI MRS spectroscopy of a sample of six local obscured type 1.9/2 active galactic nuclei (AGN) to compare their nuclear mid-IR absorption bands with the level of nuclear obscuration traced by X-rays. This study is the first to…

Recent cutting-edge experiments have provided {\it in situ} structure characterization and measurements of the pressure ($P$), density ($\bar{\rho}$) and temperature ($T$) of shock compressed silicon in the 100 GPa range of pressures and…

The adsorption characteristics of alkali, alkaline earth and transition metal adatoms on silicene, a graphene-like monolayer structure of silicon, are analyzed by means of first-principles calculations. In contrast to graphene, interaction…

Metal nanostructures have received significant attention in recent years owing to their peculiar physical and chemical properties, which span a wide range of practical applications in a variety of scientific and engineering fields. Herein,…

We present theoretical and experimental studies of the optical response of L-shaped silver nanoparticles. The scattering spectrum exhibits several plasmon resonances that depend sensitively on the polarization of the incident…

The electronic structure of the conjugated polymer, polyaniline, has been studied by resonant and nonresonant X-ray emission spectroscopy using synchrotron radiation for the excitation. The measurements were made on polyaniline and a few…