Influence of the solvent on the stability of bis(terpyridine) structures on graphite

• Daniela Künzel and
• Axel Groß

Beilstein J. Nanotechnol. 2013, 4, 269–277, doi:10.3762/bjnano.4.29

• various network structures as a function of the chemical potential is derived yielding a sequence in agreement with the experiment. Keywords: computer simulations; energy related; force-field calculations; nanomaterials; solvation; Introduction The controlled formation of structured surfaces by the

Highly ordered ultralong magnetic nanowires wrapped in stacked graphene layers

• Abdel-Aziz El Mel,
• Jean-Luc Duvail,
• Eric Gautron,
• Wei Xu,
• Chang-Hwan Choi,
• Benoit Angleraud,
• Agnès Granier and
• Pierre-Yves Tessier

Beilstein J. Nanotechnol. 2012, 3, 846–851, doi:10.3762/bjnano.3.95

• , sensors, and energy-related devices [17][18][19]. The combination between the electrical properties of graphene and the magnetic properties of 1D ferromagnetic nanostructures would offer wide prospects for spintronic applications. Fabricating coaxial nanowires with ferromagnetic cores and graphene

Influence of water on the properties of an Au/Mpy/Pd metal/molecule/metal junction

• Jan Kučera and
• Axel Groß

Beilstein J. Nanotechnol. 2011, 2, 384–393, doi:10.3762/bjnano.2.44

• structure with every second water molecule bound to the metal surface via the oxygen atom. The other water molecules have one hydrogen atom either pointing away from the surface (Hup) or towards the surface (Hdown). In such an arrangement the adsorption energy related to one H2O in the gas phase is higher

Structural and magnetic properties of ternary Fe_1–xMn_xPt nanoalloys from first principles

• Markus E. Gruner and
• Peter Entel

Beilstein J. Nanotechnol. 2011, 2, 162–172, doi:10.3762/bjnano.2.20

• the energy related to internal lattice defects, such as twin boundaries, by deliberate design of the alloy composition. This could effectively disfavor multiply twinned morphologies, while the resulting trends can be monitored on the electronic level in the framework of large scale density functional