Understanding the interaction of nanoparticle surface with functional groups from different organic ligands such as carboxylic acids is challenging because of the inherent challenges associated with the characterization of highly dynamic and reactive nature of nanoparticles. The present study is an attempt to understand the direct interaction of ceria nanoparticles surface with carboxylic acid at the molecular level by combining various spectroscopic techniques with theoretical calculations. In-situ XPS carried out by freezing the nanoparticle solution at liquid nitrogen temperature show that the Ce atoms exist predominantly as Ce4+ and the oxygen atoms from carboxylic acids were bound to the ceria surface in a bidentate conformation. The SFG-VS spectra from functionalized nanoparticle surface show no signature of C=O confirming the bidentate bonding of the carboxylic acid group. Findings from these characterizations combined with DFT calculations of carboxylic acid molecules adsorbed on oxygen deficient and stoichiometric ceria surface will be discussed.

Direct characterization of ligand nanoparticle interaction: A combined experimental and theoretical investigation

243rd National Meeting (2012)

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