Heterometal nanoparticles from Ru-based molecular clusters covalently anchored onto functionalized carbon nanotubes and nanofibers

• Deborah Vidick,
• Xiaoxing Ke,
• Michel Devillers,
• Claude Poleunis,
• Arnaud Delcorte,
• Pietro Moggi,
• Gustaaf Van Tendeloo and
• Sophie Hermans

Beilstein J. Nanotechnol. 2015, 6, 1287–1297, doi:10.3762/bjnano.6.133

• microscopy (HRTEM) and high angle annular dark field scanning transmission electron microscopy (HAADF-STEM) confirms their bimetal nature on the nanoscale. The obtained bimetal nanoparticles supported on nanocarbon were tested as catalysts in ammonia synthesis and are shown to be active at low temperature

• and atmospheric pressure with very low Ru loading. Keywords: ammonia synthesis; cluster; nanofibers; nanoparticles; nanotubes; Introduction Metal nanoparticles (NPs) supported on nanoscopic forms of carbon (nanotubes, nanofibers) are an important class of nanostructured materials that find

• agglomeration, and in particular, their characterization at atomic resolution to prove their bimetal nature within individual nanoparticles. In order to test their potential application in catalysis, the carbon-supported nanoparticles are evaluated in ammonia synthesis, as a reference reaction with mature

Electrocatalysis on the nm scale

• R. Jürgen Behm

Beilstein J. Nanotechnol. 2015, 6, 1008–1009, doi:10.3762/bjnano.6.103

• theoretical description of important electrocatalytic reactions, such as hydrogen evolution/water splitting [4][5] or electrocatalytic ammonia synthesis [6]. Additionally, mechanistic studies of electrocatalytic reactions, such as O2 reduction [7], CO oxidation [8] or the electrooxidation of small organic

Nanoparticle shapes by using Wulff constructions and first-principles calculations

• Georgios D. Barmparis,
• Zbigniew Lodziana,
• Nuria Lopez and
• Ioannis N. Remediakis

Beilstein J. Nanotechnol. 2015, 6, 361–368, doi:10.3762/bjnano.6.35

• ammonia-synthesis catalyst from first principles [47][48][49]. Density functional calculations were used to obtain accurate surface energies for several faces of hcp Ru. These values were used in a standard Wulff-construction software to create the polyhedron that corresponded to the equilibrium shape. In

• ). Microscopy and/or first-principles simulations are typically used to identify what the active sites for each catalytic reaction are. For example, B-type step atoms are the only active sites for ammonia synthesis on Ru-based catalysts [56]. Atomistic Wulff constructions can be then used to calculate the