Рубрики:
ORGANIZED MOLECULAR ASSEMBLIES
ALKYL THIOL MONOLAYERS
STRUCTURAL CHARACTERIZATION
DYNAMICS SIMULATION
LANGMUIR MONOLAYER
SURFACES
GOLD
FILMS
AU(111)
MODEL
ORGANIZED MOLECULAR ASSEMBLIES
ALKYL THIOL MONOLAYERS
STRUCTURAL CHARACTERIZATION
DYNAMICS SIMULATION
LANGMUIR MONOLAYER
SURFACES
GOLD
FILMS
AU(111)
MODEL
Аннотация: Equilibrium states of the system of self-assembled monolayers (SAMs) of n-alkanethiol molecules HS(CH2)(n-1)(X) with polar group X chemiabsorbed on the Au(111) crystal surface are considered. The couplings between the atoms (C, H) of the n-alkanethiols are approximated by the Lennard-Jones potential. The couplings between the n-alkanethiols and the crystal surface are approximated by the 12-3 potential. The interactions of polar groups and the self-images with the metal substrate are taken into consideration. The phase-transition temperatures, the structural order and equilibrium tilt, and the twist and azimuthal angles of the macromolecules, which depend on the dipole moments, are found. (C) 1998 American Institute of Physics.
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Держатели документа:
LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН