Transition metal (TM) atoms bound to fullerenes are proposed as adsorbents for high density, room temperature, ambient pressure storage of hydrogen. C60 or C48B12 disperses TMs by charge transfer interactions to produce stable organometallic buckyballs (OBBs). A particular scandium OBB can bind as many as 11 hydrogen atoms per TM, ten of which are in the form of dihydrogen that can be adsorbed ...

We describe quantum Monte Carlo methods for simulating quantum systems. These techniques are particularly well-suited for nanomaterials where quantum effects often fall outside conventional approaches. We review recent applications to quantum dots, buckyballs, and superfluid helium nanoclusters. (For Handbook of Computational Nanotechnology Encyclopedia of Nanoscience and Nanotechnology)

We point out that QCD analogs of Fullerene type excitations may exist with “magic numbers” 8,24,48, and 120. These “Jballs” are the most symmetrical closed networks of gluonic baryon junctions and anti-junctions with zero net baryon number. In SU(N) gauge theory, their masses are proportional to N . CP odd configurations may also exist. We estimate the relative binding energies and discuss the ...