Carbon-induced Ru nanorod formation
Payam Kaghazchi
RSC Advances Pub Date : 11/20/2013 00:00:00 , DOI:10.1039/C3RA45985C
Abstract

Using DFT calculations we study morphology of C-covered Ru nanostructures. We find that the equilibrium shape of clean Ru nanoparticles is a polyhedron consisting mainly of {0001}, {10[1 with combining macron]0}, and {10[1 with combining macron]1} faces. At low and intermediate coverages of C the shape does not deviate much from that of clean nanoparticles. However, at higher coverages the particle's morphology transforms from the polyhedron to a rod-like shape, which mainly consists of {10[1 with combining macron]0} faces. The formation of nanorods is due to a high stability of Ru(10[1 with combining macron]0), which is induced by the formation of chains of C atoms on this surface. We find that under conditions of Fischer–Tropsch synthesis, in which C forms from the hydrogenation of CO, the rod-like Ru nanoparticle is the most favorable shape.

Graphical abstract: Carbon-induced Ru nanorod formation