Abstract
By performing first-principles calculations, it was demonstrated that pentagons are introduced at the initial stage of nucleation. Various forms of possible nuclei on the surface of Ni metal were compared. It was established that a cap or capped tube is energetically preferred over a graphene sheet, a fullerene, or an open tube.
Original language | English |
---|---|
Article number | 145501 |
Pages (from-to) | 145501/1-145501/4 |
Journal | Physical Review Letters |
Volume | 90 |
Issue number | 14 |
State | Published - Apr 11 2003 |
Funding
This work was supported in part by the Laboratory-Directed Research and Development Program at Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy under Contract No. DE-AC05-00OR22725, by the National Science Foundation Grant No. DMR-9803768, and by the William A. and Nancy F. McMinn Endowment at Vander?>bilt University. Some of the calculations were done at the National Energy Research Scientific Computing Center, supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC03-76SF00098.