TechConnect Proceedings Papers
Alkali Halide Nanoclusters: Structure, Stability, Properties and Mechanism of Formation
Henkes A.V., Fantuzzi F., Nascimento M.A.C., Instituto de Química, Universidade Federal do Rio de Janeiro, BR
Results of accurate quantum-mechanical calculations for alkali halide nanoclusters (LiF, NaCl, KBr), revealed a variety of new morphologies - single and multiple tubes, double-sheets, honeycomb, sodalitic cages- quite distinct from the cubic macro crystal structure. [...]