Intramolecular diffusive motion in alkane monolayers studied by high-resolution quasielastic neutron scattering and molecular dynamics simulations

被引:32
作者
Hansen, FY
Criswell, L
Fuhrmann, D
Herwig, KW
Diama, A
Dimeo, RM
Neumann, DA
Volkmann, UG
Taub, H
机构
[1] Tech Univ Denmark, Dept Chem, DK-2800 Lyngby, Denmark
[2] Univ Missouri, Dept Phys & Astron, Columbia, MO 65211 USA
[3] Univ Missouri, Univ Missouri Res Reactor, Columbia, MO 65211 USA
[4] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37830 USA
[5] Natl Inst Stand & Technol, NIST Ctr Neutron Res, Gaithersburg, MD 20899 USA
[6] Pontificia Univ Catolica Chile, Fac Fis, Santiago 22, Chile
关键词
D O I
10.1103/PhysRevLett.92.046103
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Molecular dynamics simulations of a tetracosane (n-C24H50) monolayer adsorbed on a graphite basal-plane surface show that there are diffusive motions associated with the creation and annihilation of gauche defects occurring on a time scale of similar to0.1-4 ns. We present evidence that these relatively slow motions are observable by high-energy-resolution quasielastic neutron scattering (QNS) thus demonstrating QNS as a technique, complementary to nuclear magnetic resonance, for studying conformational dynamics on a nanosecond time scale in molecular monolayers.
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页数:4
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