Energetics of carbon nanotubes

Erkoç, Şakir
Ozkaymak, S
We have investigated the energetics of carbon nanotubes. Calculations have been performed by using the empirical many-body potential energy function developed by Tersoff for carbon.


Erkoç, Şakir (Springer Science and Business Media LLC, 1991-01-01)
The structural stability and energetics of carbon, silicon, and germanium microclusters containing 3-7 atoms have been investigated by using a recently developed empirical many-body potential energy function (PEF), which comprises two- and three-body atomic interactions. The PEF satisfies both bulk cohesive energy per atom and bulk stability exactly. It has been found that the most stable C3-4 microclusters are linear with D-infinity-h symmetry but C5-7 microclusters are planar with D(nh) symmetry. Silic...
Electronic structure of carbon nanotubes: AM1-RHF calculations
Erkoç, Şakir; Turker, L (Elsevier BV, 1999-07-01)
We have investigated the electronic structure of optimized open-ended single-wall carbon nanotubes with armchair and zigzag geometries. The calculations were performed using AM1-RHF semiempirical molecular orbital method. It has been found that the density of states of the zigzag model is more sensitive to the tube size than that of the armchair model.
Understanding the plasmonic properties of dewetting formed Ag nanoparticles for large area solar cell applications
Gunendi, M. Can; TANYELİ, Irem; Akguc, Gursoy B.; Bek, Alpan; Turan, Raşit; Gulseren, Oguz (The Optical Society, 2013-07-29)
The effects of substrates with technological interest for solar cell industry are examined on the plasmonic properties of Ag nanoparticles fabricated by dewetting technique. Both surface matching (boundary element) and propagator (finite difference time domain) methods are used in numerical simulations to describe plasmonic properties and to interpret experimental data. The uncertainty on the locations of nanoparticles by the substrate in experiment is explained by the simulations of various Ag nanoparticle...
Efficient Numerical Algorithm for Cascaded Raman Fiber Lasers Using a Spectral Method
Tarman, Işık Hakan (Institute of Electrical and Electronics Engineers (IEEE), 2009-07-01)
Over recent decades, fiber Raman lasers (FRLs) have received much attention from researchers and have become a challenge for them both numerically and experimentally. The equations governing the FRLs are in the form of a first-order system of nonlinear two-point boundary-value ordinary differential equations. In this paper, an algorithm for solving this system of differential equations using a spectral method, namely Chebyshev pseudospectral method, is presented in detail and then numerical simulations are ...
Structural features and energetics of Znn-mCdm (n=7,8) microclusters and Zn-50, Cd-50, and Zn25Cd25 nanoparticles: Molecular-dynamics simulations
Amirouche, L; Erkoç, Şakir (American Physical Society (APS), 2003-10-01)
The structural features and energetics of Znn−mCdm (n=7,8) microclusters and Zn50, Cd50, and Zn25Cd25 nanoparticles have been investigated by performing molecular-dynamics computer simulations using a recently developed empirical many-body potential-energy function. The most stable structures were found to be compact and three-dimensional for all elemental and mixed clusters. An interesting structural feature of the mixed clusters is that Zn and Cd atoms do not mix in mixed clusters; they come together almo...
Citation Formats
Ş. Erkoç and S. Ozkaymak, “Energetics of carbon nanotubes,” EUROPEAN PHYSICAL JOURNAL D, pp. 331–333, 1998, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/50462.