Publication
Using the Car-Parrinello method, the authors have obtained unforeseen structures for the low-lying isomers of Si45 and other midsized Si clusters. They are formed by two shells of atoms, the outer one (cage) being fullerenelike and the inner one (core) consisting of a few atoms satg. dangling bonds. These novel structures provide for the first time a consistent interpretation of the available exptl. data, including the reactivity trends and the structural transition at a size of .apprx.25 atoms. [on SciFinder (R)]
Andreas Mortensen, David Hernandez Escobar, Léa Deillon, Alejandra Inés Slagter, Eva Luisa Vogt, Jonathan Aristya Setyadji
Christophe Marcel Georges Galland, Valeria Vento, Sachin Suresh Verlekar, Philippe Andreas Rölli
Katie Sabrina Catherine Rosie Marsden