Energies of fullerenes.
作者： J. Tersoff
DOI: 10.1103/PHYSREVB.46.15546
关键词: Relative stability 、 Disclination 、 Fullerene 、 Molecule 、 Stability (probability) 、 Chemical physics 、 Atomic cluster 、 Physics 、 Cohesive energy 、 Crystal binding
摘要: To understand fullerenes, it is crucial to determine the energies, and hence relative stabilities, of different structures. Here we introduce an approach calculating understanding these by applying elasticity theory. Explicit formulas are given for energies ball-shaped molecules, graphite tubules, recently proposed negative-curvature fullerenes. Extensive atomistic calculations confirm validity formulas. These results provide a general perspective on stability fullerenes
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sci-hub.se 参考文章(14)
Sumio Iijima, Helical microtubules of graphitic carbon Nature. ,vol. 354, pp. 56- 58 ,(1991) , 10.1038/354056A0
A. L. MACKAY, H. TERRONES, Diamond from graphite Nature. ,vol. 352, pp. 762- 762 ,(1991) , 10.1038/352762A0
David Vanderbilt, J. Tersoff, Negative-curvature fullerene analog of C 60 Physical Review Letters. ,vol. 68, pp. 511- 513 ,(1992) , 10.1103/PHYSREVLETT.68.511
Thomas Lenosky, Xavier Gonze, Michael Teter, Vert Elser, Energetics of negatively curved graphitic carbon Nature. ,vol. 355, pp. 333- 335 ,(1992) , 10.1038/355333A0
Susumu Saito, Atsushi Oshiyama, Electronic and geometric structures of C70. Physical Review B. ,vol. 44, pp. 11532- 11535 ,(1991) , 10.1103/PHYSREVB.44.11532
BL Zhang, CH Xu, CZ Wang, Che Ting Chan, KM Ho, None, Systematic study of structures and stabilities of fullerenes Physical Review B. ,vol. 46, pp. 7333- 7336 ,(1992) , 10.1103/PHYSREVB.46.7333
David Tománek, Michael Schluter, Growth regimes of carbon clusters. Physical Review Letters. ,vol. 67, pp. 2331- 2334 ,(1991) , 10.1103/PHYSREVLETT.67.2331
Pietro Ballone, Paolo Milani, Simulated annealing of carbon clusters. Physical Review B. ,vol. 42, pp. 3201- 3204 ,(1990) , 10.1103/PHYSREVB.42.3201
Q.-M. Zhang, Jae-Yel Yi, J. Bernholc, Structure and dynamics of solid C60. Physical Review Letters. ,vol. 66, pp. 2633- 2636 ,(1991) , 10.1103/PHYSREVLETT.66.2633
J. Tersoff, Empirical Interatomic Potential for Carbon, with Applications to Amorphous Carbon Physical Review Letters. ,vol. 61, pp. 2879- 2882 ,(1988) , 10.1103/PHYSREVLETT.61.2879