Understanding Ru/CNT interactions: A rational design of Ru nanocatalysts

B.F. Machado, M. Oubenali, M.R. Axet, T.T. Nguyen, M. Tunckol, M. Girleanu, O. Ersen, I.C. Gerber, P. Serp
Laboratory of Coordination Chemistry, FR

Keywords: carbon nanotubes, Ru nanoparticles, surface chemistry, DFT

Summary:

We report a detailed study on the nature of the ruthenium–carbon nanotube (Ru/CNT) interface in catalysts prepared from neutral Ru(0) organometallic precursors. Experimental data combined with density functional theory calculations allowed to conclude that both Ru precursor and nanoparticles are anchored on the external surface via the carboxylic surface groups, presumably via surface acetato ligands. Additionally, it is demonstrated that after a high-temperature treatment, performed to assist oxygen surface functional group removal, a surface reconstruction reaction occurs involving oxygen atoms present on the ruthenium nanoparticle surface and the carbon atoms remaining after oxygen surface functional group removal.