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Ground state and phase transitions in a system of arg-cysteamines self-assembled on a Au(111) crystal surface / A. F. Sadreev [et al.]> // J. Chem. Phys. - 2004. - Vol. 120, Is. 2. - P. 954-960, DOI 10.1063/1.1631920. - Cited References: 38
. - ISSN 0021-9606РУБ Physics, Atomic, Molecular & Chemical Рубрики: MOLECULAR-DYNAMICS SIMULATION HYDROGEN-BOND MONOLAYERS MODEL GOLD PEPTIDES ALKANETHIOLS ACTIVATION FILMS CYS Кл.слова (ненормированные): Gold -- Ground state -- Hydrogen bonds -- Molecules -- Phase transitions -- Self assembly -- Surfaces -- Temperature -- Arg-cysteamines -- Crystal surface -- Dipole moments -- Dipole-dipole interactions -- Molecular dynamics Аннотация: The translational and orientation order of arg-cysteamine molecules chemiabsorbed on the Au(111) crystal surface is considered. Couplings between carbon, nitrogen, and hydrogen atoms of the n-alkanethiols are approximated by the Lennard-Jones potential. Moreover, hydrogen bonds between oxygen and nitrogen and dipole-dipole interactions of the dipole moments of different atomic groups are taken into account. It is found that molecules are arranged in a 2x2 lattice and have the total symmetry C(6)xZ(2). The critical temperature of the phase transition to the tilted state T-c1, which breaks the symmetry C-6, is estimated to be extremely high. The spontaneous breakdown of the remaining symmetry Z(2) leads to the twisted state of the molecules and has the critical temperature T-c2=340 K. (C) 2004 American Institute of Physics.
WOS, Scopus, Читать в сети ИФ Держатели документа: LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia Linkoping Univ, Dept Phys & Measurement Technol, S-58183 Linkoping, Sweden ИФ СО РАН Kirensky Institute of Physics, 660036, Krasnoyarsk, Russian Federation Dept. of Phys. and Msrmt. Technology, Linkoping University, S-581 83 Linkoping, Sweden Доп.точки доступа: Sadreev, A. F.; Садреев, Алмаз Фаттахович; Sukhunin, Y. V.; Petoral, R. M.; Uvdal, K. } Найти похожие
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