Related papers: Web-Based Methods for X-ray and Photoelectron Spec…
We present a detailed model of the discrete X-ray spectroscopic features expected from steady-state, low-density photoionized plasmas. We apply the Flexible Atomic Code (FAC) to calculate all of the necessary atomic data for the full range…
Electron microscopy is a powerful tool for studying the properties of materials down to their atomic structure. In many cases, the quantitative interpretation of images requires simulations based on atomistic structure models. These…
Proton-coupled electron transfer (PCET) is foundational to catalysis, bioenergetics, and energy conversion, yet capturing and disentangling the coupled motions of electrons, protons, and solvent has remained a major experimental challenge.…
Photoelectron diffraction (PED) is a powerful and essential experimental technique for resolving the structure of surfaces with sub-angstrom resolution. In the high energy regime, researchers in angle-resolved photoemission spectroscopy…
Based on the work done by an electromagnetic field on an atomic or molecular electronic system, a general gauge invariant formulation of transient absorption spectroscopy is presented within the semi-classical approximation. Avoiding…
Experimental control and detection of atoms and molecules often rely on optical transitions between different electronic states. In many cases, substructure such as hyperfine or spin-rotation structure leads to the need for multiple optical…
We derive a generalization of forward fitting for X-ray spectroscopy to include linear polarization of X-ray sources, appropriate for the anticipated next generation of space-based photoelectric polarimeters. We show that the inclusion of…
An application of resonant inelastic x-ray scattering technique for studying of optical scale excitations in electron-correlated materials is discussed. Examples are given including data obtained for 3d transition metal, lanthanide, and…
An easily accessible method is presented that permits to calculate spectra involving atomic multiplets relevant to X-ray Absorption Spectroscopy (XAS) and Resonant Inelastic X-ray Scattering (RIXS) experiments. We present specific examples…
The key to photoelectric X-ray polarimetry is the determination of the emission direction of photoelectrons. Because of the low mass of an electron, the ionisation trajectory is not straight and the useful information needed for polarimetry…
Key technologies in energy conversion and storage, sensing and chemical synthesis rely on a detailed knowledge about charge transfer processes at electrified solid-liquid interfaces. However, these interfaces continuously evolve as a…
I describe a method for synthesizing photometric passbands for use with current and future X-ray instruments. The method permits the standardisation of X-ray passbands and thus X-ray photometry between different instruments and missions.…
We introduce an approach for performing spectrally resolved electron microscopy without the need for an electron spectrometer. The method involves an electron beam prepared as a coherent superposition of multiple paths, one of which passes…
Electron ptychography describes a family of algorithms which are used to enable the reconstruction of complex specimen transmission functions of a sample in order to obtain both phase and amplitude information, as applied within the realms…
The possibility of using time-resolved vibronic spectroscopy for spectral analysis of mixtures of chemical compounds with similar optical properties, when traditional methods are inefficient, is demonstrated by using the method of computer…
Beam shaping - the ability to engineer the phase and the amplitude of massive and massless particles - has long interested scientists working on communication, imaging and the foundations of quantum mechanics. In light optics, the shaping…
This publication presents an investigation of the performance of different analytical electron ptychography methods for low-dose imaging. In particular, benchmarking is performed for two model-objects, monolayer MoS$_2$ and apoferritin, by…
We report the implementation of energy dispersive X-ray spectroscopy for layered semiconductors in the form of atomically thin transition metal dichalcogenides. The technique is based on a scanning electron microscope equipped with a…
Near Ambient Pressure Scanning Photoelectron Microscopy adds to the widely used photoemission spectroscopy and its chemically selective capability two key features: (i) the possibility to chemically analyse samples in a more realistic…
X-ray interaction with matter is an energy-dependent process that is contingent on the atomic structure of the constituent material elements. The most advanced models to capture this relationship currently rely on Monte Carlo (MC)…