Electronic Structure and Surface Chemistry of BaZrS Perovskite Powder and Sputtered Thin Film.

Chalcogenide perovskites exhibit optoelectronic properties that position them as potential materials in the field of photovoltaics. We report a detailed investigation into the electronic structure and chemical properties of polycrystalline BaZrS perovskite powder by X-ray photoelectron spectroscopy, complemented by an analysis of its long- and short-range geometric structures using X-ray diffraction and X-ray absorption spectroscopy. The results obtained for the powdered BaZrS are compared to similar measurements on a sputtered polycrystalline BaZrS thin film prepared through rapid thermal processing.

Effect of carbon content on electronic structure of uranium carbides.

The electronic structure of UC[Formula: see text] (x = 0.9, 1.0, 1.

Chemical bonding in americium oxides probed by X-ray spectroscopy.

The electronic structure and the chemical state in Am binary oxides and Am-doped UO[Formula: see text] were studied by means of X-ray absorption spectroscopy at shallow Am core (4d and 5d) edges. In particular, the Am 5f states were probed and the nature of their bonding to the oxygen states was analyzed. The interpretation of the experimental data was supported by the Anderson impurity model (AIM) calculations which took into account the full multiplet structure due to the interaction between 5f electrons as well as the interaction with the core hole.

Electronic Structure and Chemical Bonding in Methylammonium Lead Triiodide and Its Precursor Methylammonium Iodide.

A detailed examination of the electronic structures of methylammonium lead triiodide (MAPI) and methylammonium iodide (MAI) is performed with molecular dynamics (AIMD) simulations based on density functional theory, and the theoretical results are compared to experimental probes. The occupied valence bands of a MAPI single crystal and MAI powder are probed with X-ray photoelectron spectroscopy, and the conduction bands are probed from the perspective of nitrogen K-edge X-ray absorption spectroscopy. Combined, the theoretical simulations and the two experimental techniques allow for a dissection of the electronic structure unveiling the nature of chemical bonding in MAPI and MAI.

Foreword to the special virtual issue on Actinide physics and chemistry with synchrotron radiation.

Foreword to the virtual special issue of on .