Structure Sensitivity, Magnetization, and Topological Analysis in DFT Models of Ni Nanoparticles and Surfaces Functionalized by Adsorbed Trimethylphosphine

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Authors: Sebastian Godoy-Gutierrez, Anthony Ropp, Karim Azouzi, Julien Pilmé, Sophie Carenco, David Loffreda

Journal title: The Journal of Physical Chemistry C

Journal number: 128

Journal publisher: American Chemical Society

Published year: 2024

Published pages: 16501-16513

DOI identifier: 10.1021/acs.jpcc.4c05040

ISSN: 1932-7447