A. Regoutz

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cond-mat.mtrl-sci2025

Influence of Hydrogen-Incorporation on the Bulk Electronic Structure and Chemical Bonding in Palladium

L. J. Bannenberg, F. GarcÃa-MartÃnez, P. LÃ¶mker +6

Palladium hydride is a model system for studying metal-hydrogen interactions. Yet, its bulk electronic structure has proven difficult to directly probe, with most studies to date l…

cond-mat.mtrl-sci2025

Simulation of Radiation Damage on [M(COD)Cl] $_{2}$ using Density Functional Theory

Nathalie K. Fernando, Nayera Ahmed, Katherine Milton +3

Theoretical calculations of materials have in recent years shown promise in facilitating the analysis of convoluted experimental data. This is particularly invaluable in complex sy…

cond-mat.mtrl-sci2024

Atomic multiplet and charge-transfer screening effects in 1 $s$ and 2 $p$ core-level X-ray photoelectron spectra of early 3 $d$ transition-metal oxides

Tatsuya Yamaguchi, Keisuke Higashi, Anna Regoutz +5

We present a comparative analysis of 1 $s$ and 2 $p$ core-level hard X-ray photoelectron spectroscopy (HAXPES) spectra in metallic VO $_{2}$ and CrO $_{2}$ . Even though the V 1 $s$ and 2 $p$ …

Influence of Hydrogen-Incorporation on the Bulk Electronic Structure and Chemical Bonding in Palladium

Simulation of Radiation Damage on [M(COD)Cl]2​ using Density Functional Theory

Atomic multiplet and charge-transfer screening effects in 1s and 2p core-level X-ray photoelectron spectra of early 3d transition-metal oxides

Simulation of Radiation Damage on [M(COD)Cl] $_{2}$ using Density Functional Theory

Atomic multiplet and charge-transfer screening effects in 1 $s$ and 2 $p$ core-level X-ray photoelectron spectra of early 3 $d$ transition-metal oxides