Inelastic neutron scattering: a novel approach towards determination of equilibrium isotopic fractionation factors. Size effects on heat capacity and beta-factor of diamond.
作者： Andrey A. Shiryaev , Veniamin B. Polyakov , Stephane Rols , Antonio Rivera , Olga Shenderova
DOI: 10.1039/D0CP02032J
关键词: Fractionation 、 Beta (plasma physics) 、 Impurity 、 Phonon density of states 、 Diamond 、 Molecular physics 、 Phonon 、 Inelastic neutron scattering 、 Heat capacity 、 Materials science
摘要: A new experimental method for the determination of equilibrium isotopic properties substances based on inelastic neutron scattering (INS) is proposed. We present a mathematical formalism, which allows calculation beta-factor single-element solids INS-derived Phonon Density States (PDOS). PDOS data nanodiamonds widely different sizes and macroscopic diamond were determined from experiments. This allowed heat capacities and, first time, β-factors nanoparticles. demonstrate considerable size-dependent increase decrease beta-factors relative to bulk diamond. Contributions surface impurities/phases phonon confinement size effects are evaluated. Applications in formation nanoparticles nature briefly discussed.
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sci-hub.se 参考文章(46)
Andrew C. Victor, Heat Capacity of Diamond at High Temperatures Journal of Chemical Physics. ,vol. 36, pp. 1903- 1911 ,(1962) , 10.1063/1.1701288
A. A. Shiryaev, I. I. Kulakova, J. Helbert, A. Maturilli, Infra-red reflectance and emissivity spectra of nanodiamonds arXiv: Materials Science. ,(2012) , 10.1080/00387010.2013.805420
V.B. Polyakov, N.N. Kharlashina, A.A. Shiryaev, Thermodynamic properties of 13C-diamond Diamond and Related Materials. ,vol. 6, pp. 172- 177 ,(1997) , 10.1016/S0925-9635(96)00587-0
P. Pavone, K. Karch, O. Schütt, D. Strauch, W. Windl, P. Giannozzi, S. Baroni, Ab initio lattice dynamics of diamond Physical Review B. ,vol. 48, pp. 3156- 3163 ,(1993) , 10.1103/PHYSREVB.48.3156
V.B. Polyakov, N.N. Kharlashina, The use of heat capacity data to calculate carbon isotope fractionation between graphite, diamond, and carbon dioxide: a new approach Geochimica et Cosmochimica Acta. ,vol. 59, pp. 2561- 2572 ,(1995) , 10.1016/0016-7037(95)00150-6
Valerii Yu Dolmatov, Detonation-synthesis nanodiamonds: synthesis, structure, properties and applications Russian Chemical Reviews. ,vol. 76, pp. 339- 360 ,(2007) , 10.1070/RC2007V076N04ABEH003643
V. F. Anisichkin, Isotope studies of detonation mechanisms of TNT, RDX, and HMX Combustion, Explosion, and Shock Waves. ,vol. 43, pp. 580- 586 ,(2007) , 10.1007/S10573-007-0078-2
H. Mutka, Focussing monochromator-Fermi-chopper time-of-flight spectrometer Physica B: Condensed Matter. ,vol. 180-181, pp. 929- 931 ,(1992) , 10.1016/0921-4526(92)90512-Q
V. F. Anisichkin, B. G. Derendyaev, V. A. Koptyug, I. Yu. Mal'kov, N. F. Salakhutdinov, V. M. Titov, Investigation of the process of decomposition in a detonation wave by the isotope method Combustion, Explosion, and Shock Waves. ,vol. 24, pp. 376- 377 ,(1988) , 10.1007/BF00750630
A. P. Koshcheev, P. V. Gorokhov, M. D. Gromov, A. A. Perov, U. Ott, The chemistry of the surface of modified detonation nanodiamonds of different types Russian Journal of Physical Chemistry A. ,vol. 82, pp. 1708- 1714 ,(2008) , 10.1134/S0036024408100129