3 papers
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. Lömker +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] 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…
physics.chem-ph2025
Investigating Discontinuous X-ray Irradiation as a Damage Mitigation Strategy for [M(COD)Cl] Catalysts
Nathalie K. Fernando, Claire A. Murray, Amber L. Thompson +3
With the advent of ever more intense and focused X-ray sources, including in laboratories, at synchrotrons, and at X-ray free electron lasers, radiation-induced sample change and d…