Publications [#235121] of Weitao Yang

Journal Articles
  1. Lu, JP; Yang, W, Shape of large single- and multiple-shell fullerenes, Physical Review B - Condensed Matter and Materials Physics, vol. 49 no. 16 (1994), pp. 11421-11424 [doi] .

    Abstract:
    The morphology of multiple-shell fullerenes is investigated by ab initio calculations using Yang's O(N) method. It is found that for large single-shell fullerenes with Ih symmetry, the spherical morphology has lower energy than that of polyhedrons. The formation energy per atom follows a simple scaling law. Including an estimate of intershell van de Waals interactions leads to the conclusion that spherical multiple-shell fullerenes are likely the most stable structure of large carbon clusters. These results are in good agreement with recent experiments. © 1994 The American Physical Society.