Size effects on dynamics of a p-dibromobenzene lattice
Purchase on Springer.com
$39.95 / €34.95 / £29.95*
Rent the article at a discountRent now
* Final gross prices may vary according to local VAT.
The effect of the change in size of p-dibromobenzene nanoparticles on lattice dynamics has been studied. The nanoparticle size has been determined with an electron microscope. Experimental low-frequency Raman spectra of p-dibromobenzene particles from ∼21 µm to 50 nm in size have been taken. Frequencies of the spectrum lines decrease with the particle size. A half-width line grows with a decrease in size down to ∼400 nm and decreases with a decrease in size from ∼400 to 50 nm. The structure of nanoparticles has been simulated using the molecular dynamics method. Histograms of lattice oscillation spectra were calculated by the Dyne method. It has been found that, with a decrease in particle size to ∼400 nm, the lattice parameters increase and the orientation disorder at the lattice boundary grows. The structure of a nanoparticle is similar to that of a p-dibromobenzene single crystal. When the nanoparticle size changes from ~400 to 50 nm, the lattice parameters increase along the crystallographic a axis and decrease along the two other crystallographic axes.
- A. I. Gusev, Nanomaterials, Nanostructures, and Nanotechnologies (Fizmatlit, Moscow, 2007) [in Russian].
- P. V. Dean, in Computational Methods in the Theory of Solid State Physics (Mir, Moscow, 1975) [in Russian].
- A. I. Kitaigorodskii, Organic Chemical Crystallography (Academy of Sciences of the Soviet Union, Moscow, 1955; Consultants Bureau, New York, 1961).
- V. F. Shabanov, V. P. Spiridonov, and M. A. Korshunov, “Polarization Investigations of the Low-Frequency Raman Scattering Spectra of p-Dibromo-and p-Bro-mochlorobenzene,” Zh. Prikl. Spektrosk. 25(4), 698–701 (1976) [J. Appl. Spectrosc. 25 (4),1295–1297 (1976)].
- M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford, 1987).
- D. Frenkel and B. Smit, Understanding Molecular Simulation: From Algorithms to Applications (Academic, London, 1996).
- D. C. Rapaport, The Art of Molecular Dynamics Simulation (Cambridge University Press, Cambridge, 1995).
- A. I. Kitaigorodskii, Molecular Crystals and Molecules (Nauka, Moscow, 1971; Academic, New York, 1973).
- W. C. Swope, H. C. Andersen, P. H. Berens, and K. R Wilson, “A Computer Simulation Method for the Calculation of Equilibrium Constants for the Formation of Physical Clusters of Molecules: Application to Small Water Clusters,” J. Chem. Phys. 76, 637–649 (1982). CrossRef
- A. A. Artamonov, P. G. Episheva, and I. P. Belyaeva, “Effect of the Crystallite Dimensions in Polycrystals on Some Parameters of the Low-Frequency Raman Spectrum,” Zh. Prikl. Spektrosk. 25(5), 855–858 (1976) [J. Appl. Spectrosc. 25 (5), 1408–1411 (1976)].
- M. A. Korshunov, “Low-Frequency Raman Spectra of Paradichlorobenzene Thin Films,” Opt. Spektrosk. 106(3), 395–398 (2009) [Opt. Spectrosc. 106 (3), 347–349(2009)]. CrossRef
- V. F. Shabanov and M. A. Korshunov, “Development of Vacancies in the Low-Frequency Spectra and Calculation of the Migration Energy in Paradibromobenzene and Paradichlorobenzene at Various Temperatures,” Fiz. Tverd. Tela (St. Petersburg) 37(11), 3463–3469 (1995) [Phys. Solid State 37 (11), 1902–1905 (1995)].
- Size effects on dynamics of a p-dibromobenzene lattice
Nanotechnologies in Russia
Volume 5, Issue 1-2 , pp 73-77
- Cover Date
- Print ISSN
- Online ISSN
- SP MAIK Nauka/Interperiodica
- Additional Links
- Industry Sectors