• 文献标题:   Power law statistics of rippled graphene nanoflakes
  • 文献类型:   Article
  • 作  者:   KAATZ FH, BULTHEEL A
  • 作者关键词:   graphene nanoflake, statistical mechanic, wiener index, matlab
  • 出版物名称:   JOURNAL OF MATHEMATICAL CHEMISTRY
  • ISSN:   0259-9791 EI 1572-8897
  • 通讯作者地址:   Mesalands Community Coll
  • 被引频次:   3
  • DOI:   10.1007/s10910-012-0131-6
  • 出版年:   2013

▎ 摘  要

Graphene nanoflakes (GNFs) are predicted to possess novel magnetic, optical, and spintronic properties. They have recently been synthesized and a number of applications are being studied. Here we investigate the statistical properties of rippled GNFs (50-5,000 atoms) at K. An adjacency matrix is calculated from the coordinates and we find that the free energy, enthalpy, entropy, and atomic displacement all show power law behavior. The vibrational energy versus the Wiener index also shows power law character. We distinguish between using Euclidean topographical indices and compare them to topological ones. These properties are determined from atomic coordinates using MATLAB routines.