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Adsorption

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01-04-2013

Adsorption of triangular-shaped molecules with directional nearest-neighbor interactions on a triangular lattice

Authors: V. A. Gorbunov, S. S. Akimenko, A. V. Myshlyavtsev, V. F. Fefelov, M. D. Myshlyavtseva

Published in: Adsorption | Issue 2-4/2013

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Abstract

Using Monte Carlo and transfer-matrix methods the lattice gas model of adsorption of triangular-shaped molecules on a triangular lattice is studied. The constructed model takes into account the directionality of pairwise nearest-neighbor interactions between the adsorbed molecules. It is shown that a predominant character of "tip-to-tip" attractive interactions w ₁ always leads to the formation of the honeycomb structure in the adsorption monolayer with local density ρ = 0.66(6). While, the values of "side-to-side" w ₂ and "tip-to-side" w ₃ interactions define the structure of close-packed phase. Depending on the values of the interactions the close-packed phase may have: (a) completely disordered structure; (b) frustrated honeycomb structure which is formed by Langmuir like adsorption onto 2D pores of the honeycomb structure; (c) ordered close-packed structure consisted of the molecules which all have the same orientation relative to each other and relative to the surface.

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Arnoldi, W.: The principle of minimized iterations in the solution of the matrix eigenvalue problem. Q. Appl. Math. 9, 17–29 (1951)

Bartels, L.: Tailoring molecular layers at metal surfaces. Nat. Chem. 2, 87–95 (2010)CrossRef

Bartelt, N.C., Einstein, T.L., Roelofs, L.D.: Transfer-matrix approach to estimating coverage discontinuities and multicritical-point positions in two-dimensional lattice-gas phase diagrams. Phys. Rev. B 34, 1616–1623 (1986)CrossRef

Binder, K., Landau, D.: Multicritical phenomena at surfaces. Surf. Sci. 61(2), 577–602 (1976)CrossRef

Binder, K., Horbach, U., Kob, W., Paul, W., Varnik, F.: Molecular dynamics simulations. J. Phys. Condens. Matter 16(5), S429 (2004)CrossRef

Cicoira, F., Santato, C., Rosei, F.: Two-dimensional nanotemplates as surface cues for the controlled assembly of organic molecules. In: STM and AFM Studies on BioMolecular Systems, vol. 285, pp 1–65. Springer, Berlin (2008)

Classen, T., Lingenfelder, M., Wang, Y., Chopra, R., Virojanadara, C., Starke, U., Costantini, G., Fratesi, G., Fabris, S., de Gironcoli, S., Baroni, S., Haq, S., Raval, R., Kern, K.: Hydrogen and coordination bonding supramolecular structures of trimesic acid on cu(110). J. Phys. Chem. A 111(49), 12589–12603 (2007)

Fefelov, V.F., Gorbunov, V.A., Myshlyavtsev, A.V., Myshlyavtseva, M.D.: Simulation of directional intermolecular interactions in organic monolayers: trimesic acid on single crystal (111) surface. In: XIX International Conference on Chemical Reactors, Hemreactor-19: Abstracts, Vienna, pp. 258–259 (2010)

Fortuna, S., Cheung, D.L., Troisi, A.: Hexagonal lattice model of the patterns formed by hydrogen-bonded molecules on the surface. J. Phys. Chem. B 114(5), 1849–1858 (2010)CrossRef

Glauber, R.J.: Time-dependent statistics of the ising model. J. Math. Phys. 4(2), 294–307 (1963)CrossRef

González, J.E., Ramirez-Pastor, A.J., Pereyra, V.D.: Adsorption of dimer molecules on triangular and honeycomb lattices. Langmuir 17(22), 6974–6980 (2001)CrossRef

Gutzler, R., Cardenas, L., Rosei, F.: Kinetics and thermodynamics in surface-confined molecular self-assembly. Chem. Sci. 2, 2290–2300 (2011)CrossRef

Ishikawa, Y., Ohira, A., Sakata, M., Hirayama, C., Kunitake, M.: A two-dimensional molecular network structure of trimesic acid prepared by adsorption-induced self-organization. Chem. Commun. 22, 2652–2653 (2002)CrossRef

Kannappan, K., Werblowsky, T.L., Rim, K.T., Berne, B.J., Flynn, G.W.: An experimental and theoretical study of the formation of nanostructures of self-assembled cyanuric acid through hydrogen bond networks on graphite. J. Phys. Chem. B 111(24), 6634–6642 (2007)CrossRef

Kawasaki, K.: Diffusion constants near the critical point for time-dependent ising models. Phys. Rev. 145, 224–230 (1966)CrossRef

Kim, K., Einstein, T.L.: Monte carlo study of the honeycomb structure of anthraquinone molecules on cu(111). Phys. Rev. B 83, 245–414 (2011)

Kinzel, W., Schick, M.: Extent of exponent variation in a hard-square lattice gas with second-neighbor repulsion. Phys. Rev. B 24, 324–328 (1981)CrossRef

Lajzerowicz, J., Sivardiere, J.: Spin-1 lattice-gas model. i. condensation and solidification of a simple fluid. Phys. Rev. A 11, 2079–2089 (1975)CrossRef

Lanczos, C.: An iteration method for the solution of the eigenvalue problem of linear differential and integral operators. J. Res. Nat. Bur. Standards 45(4), 255–282 (1950)CrossRef

Landau, D.P., Binder, K.: A Guide to Monte Carlo Simulation in Statistical Physics. Cambridge University Press, Cambridge, England (2000)

Li, Z., Han, B., Wan, L.J., Wandlowski, T.: Supramolecular nanostructures of 1,3,5-benzene-tricarboxylic acid at electrified au(111)/0.05 m h2so4 interfaces: an in situ scanning tunneling microscopy study. Langmuir 21(15), 6915–6928 (2005)CrossRef

Liang, H., He, Y., Ye, Y., Xu, X., Cheng, F., Sun, W., Shao, X., Wang, Y., Li, J., Wu, K.: Two-dimensional molecular porous networks constructed by surface assembling. Coord. Chem. Rev. 253(23–24), 2959–2979 (2009)CrossRef

Meier, C., Ziener, U., Landfester, K., Weihrich, P.: (2005) Weak hydrogen bonds as a structural motif for two-dimensional assemblies of oligopyridines on highly oriented pyrolytic graphite:an stm investigation. J. Phys. Chem. B 109(44), 21015–21027

Misiūnas, T., Tornau, E.E.: Ordered assemblies of triangular-shaped molecules with strongly interacting vertices: phase diagrams for honeycomb and zigzag structures on triangular lattice. J. Phys. Chem. B 116(8), 2472–2482 (2012)CrossRef

Myshlyavtsev A., Dongak M.: Statistics of adsorption on top and bridge sites of a square lattice: transfer-matrix approach. J. Stat. Phys. 87, 593–606 (1997)CrossRef

Myshlyavtsev, A., Sales, J., Zgrablich, G., Zhdanov, V.: The effect of three-body interactions on thermal desorption spectra. J. Stat. Phys. 58, 1029–1039 (1990)CrossRef

Myshlyavtsev, A.V., Myshlyavtseva, M.D.: Modeling of adsorption and phase diagrams for stepped surfaces: transfer matrix approach. Appl. Surf. Sci. 253(13), 5591–5595 (2007)CrossRef

Nath, K.G., Ivasenko, O., MacLeod, J.M., Miwa, J.A., Wuest, J.D., Nanci, A., Perepichka, D.F., Rosei, F.: Crystal engineering in two dimensions: an approach to molecular nanopatterning. J. Phys. Chem. C 111(45), 16996–17007 (2007)

Pawin, G., Wong, K.L., Kwon, K.Y., Bartels, L.: A homomolecular porous network at a cu(111) surface. Science 313(5789), 961–962 (2006)CrossRef

Rikvold P.A., Collins J.B., Hansen G., Gunton J.: Three-state lattice gas on a triangular lattice as a model for multicomponent adsorption. Surf. Sci. Rep. 203(3), 500–524 (1988)CrossRef

Rudzinski, W., Steele, W., Zgrablich, G., (eds.): Equilibria and Dynamics of Gas Adsorption on Heterogeneous Solid Surfaces. Elsevier, Amsterdam (1997)

Runnels, L.K., Combs, L.L.: Exact finite method of lattice statistics. i. Square and triangular lattice gases of hard molecules. J. Chem. Phys. 45(7), 2482–2492 (1966)CrossRef

Rzysko, W., Patrykiejew, A., Binder, K.: Phase transitions in a two-dimensional lattice gas model of orientable diatomic molecules. Phys. Rev. B 72, 165–416 (2005)

Silly, F., Weber, U.K., Shaw, A.Q., Burlakov, V.M., Castell, M.R., Briggs, G.A.D., Pettifor, D.G.: Deriving molecular bonding from a macromolecular self-assembly using kinetic monte carlo simulations. Phys. Rev. B 77, 201–408 (2008)

Sivardiere, J., Lajzerowicz, J.: Spin-1 lattice-gas model. ii. Condensation and phase separation in a binary fluid. Phys. Rev. A 11, 2090–2100 (1975a)CrossRef

Sivardiere, J., Lajzerowicz, J.: Spin-1 lattice-gas model. iii. Tricritical points in binary and ternary fluids. Phys. Rev. A 11, 2101–2110 (1975b)CrossRef

Stewart, G.: Addendum to a krylov–schur algorithm for large eigenproblems. SIAM J. Matrix Anal. Appl. 24(2), 599–601 (2002a)CrossRef

Stewart, G.: A krylov–schur algorithm for large eigenproblems. SIAM J. Matrix Anal. Appl. 23(3), 601–614 (2002b)CrossRef

Weber, U.K., Burlakov, V.M., Perdigão, L.M.A., Fawcett, R.H.J., Beton, P.H., Champness, N.R., Jefferson, J.H., Briggs, G.A.D., Pettifor, D.G.: Role of interaction anisotropy in the formation and stability of molecular templates. Phys. Rev. Lett. 100, 156101 (2008)

Yan, H.J., Lu, J., Wan, L.J., Bai, C.L.: Stm study of two-dimensional assemblies of tricarboxylic acid derivatives on au(111). J. Phys. Chem. B 108(31), 11251–11255 (2004)

Ye, Y., Sun, W., Wang, Y., Shao, X., Xu, X., Cheng, F., Li, J., Wu, K.: A unified model:self-assembly of trimesic acid on gold. J. Phys. Chem. C 111(28), 10138–10141 (2007)

Zhang, H.M., Xie, Z.X., Long, L.S., Zhong, H.P., Zhao, W., Mao, B.W., Xu, X., Zheng, L.S.: One-step preparation of large-scale self-assembled monolayers of cyanuric acid and melamine supramolecular species on au(111) surfaces. J. Phys. Chem. C 112(11), 4209–4218 (2008)CrossRef

Zhdanov, V.P.: Ostwald ripening of close-packed and honeycomb islands during coadsorption. Phys. Rev. B 76, 033–406 (2007)

Title: Adsorption of triangular-shaped molecules with directional nearest-neighbor interactions on a triangular lattice
Authors: V. A. Gorbunov
S. S. Akimenko
A. V. Myshlyavtsev
V. F. Fefelov
M. D. Myshlyavtseva
Publication date: 01-04-2013
Publisher: Springer US
Published in: Adsorption / Issue 2-4/2013
Print ISSN: 0929-5607
Electronic ISSN: 1572-8757
DOI: https://doi.org/10.1007/s10450-013-9480-0

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