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Simulation of radiation damage on [M(COD)Cl] 2 using density functional theory

Year: 2025
Type: article
Abstract: X-ray diffraction and X-ray photoelectron spectroscopy. Our approach allows calculated spectra to be compared directly to experimental data, in this case, the X-ray photoelectron valence band spectra, enabling the valuable correlation of individual atomic states to the electronic structure.
DOI: 10.1039/d5cp03310a
Authors: Nathalie K. Fernando, Nayera Ahmed, Katherine Milton, Claire A. Murray, Anna Regoutz, Laura E. Ratcliff
Institutions: University College London, London Centre for Nanotechnology, Diamond Light Source, University of Oxford, University of Bristol, UiT The Arctic University of Norway
Language: English
Open Access status: hybrid
OpenAlex ID: W4414747716
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Cites: 26
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