Published in

Royal Society of Chemistry, Nanoscale, 2(15), p. 532-539, 2023

DOI: 10.1039/d2nr05294f

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Complex ligand adsorption on 3D atomic surfaces of synthesized nanoparticles investigated by machine-learning accelerated ab initio calculation

This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

High-throughput analysis of ligand adsorption on metal nanoparticles revealed that dispersion interactions largely affect the optimal adsorption energy and configuration.