On the ordering of n-cyanobiphenyl mesogene molecules on graphene - a computer simulation study

• Autorzy: Gwizdała Wojciech , Raczyńska Violetta , Raczyński Przemysław , Górny Krzysztof , Dendzik Zbigniew

Identyfikatory

DOI

10.17466/tq2018/22.2/a

• Języki publikacji: EN

Abstrakty

EN

We studied ultrathin layers of n-cyanobiphenyl (n=5,6,7,8) mesogene molecules forming thin films on a graphene plane using molecular dynamics simulations in a wide temperature range (220–420K). Each modeled ensemble was heated to the maximum temperature and then cooled (reverse procedure). We calculated the second rank order parameter as a measure of the molecular order of mesogene molecules and we discuss the distribution of angles between them and the global sample director.

Słowa kluczowe

EN

order parameter; liquid crystals; graphene; ultrathin layers

• Wydawca: Politechnika Gdańska
• Czasopismo: TASK Quarterly : scientific bulletin of Academic Computer Centre in Gdansk
• Rocznik: 2018
• Tom: Vol. 22. No 2
• Strony: 105--111
• Opis fizyczny: Bibliogr. 20 poz., rys.

Twórcy

autor

Gwizdała Wojciech

• Institute of Computer Science, Pedagogical University, ul. Podchorążych 2, 30–084 Kraków, Poland

autor

Raczyńska Violetta

• Institute of Physics, University of Silesia, 75 Pułku Piechoty 1, 41–500 Chorzów, Poland

autor

Raczyński Przemysław

• Institute of Physics, University of Silesia, 75 Pułku Piechoty 1, 41–500 Chorzów, Poland
• Silesian Centre of Education & Interdisciplinary Research, 75 Pułku Piechoty 1a, 41–500 Chorzów, Poland

autor

Górny Krzysztof

• Institute of Physics, University of Silesia, 75 Pułku Piechoty 1, 41–500 Chorzów, Poland
• Silesian Centre of Education & Interdisciplinary Research, 75 Pułku Piechoty 1a, 41–500 Chorzów, Poland

autor

Dendzik Zbigniew

• Institute of Physics, University of Silesia, 75 Pułku Piechoty 1, 41–500 Chorzów, Poland
• Silesian Centre of Education & Interdisciplinary Research, 75 Pułku Piechoty 1a, 41–500 Chorzów, Poland

Bibliografia

• [1] Singh S 2001 Liquid Crystals: Fundamentals, World Scientific Publishing Co. Pte. Ltd.
• [2] Fisch M R 2004 Liquid Crystals, Laptops and Life, World Scientific Series in Contem-porary Chemical Physics23, World Scientific
• [3] Collings P J 1990 Liquid crystals: nature’s delicate phase of matter, Princeton UniversityPress
• [4] Novoselov K S, Geim A K, Morozov S V, Jiang D, Zhang Y, Dubonos S V, Grigorieva I Vand Firsov A A 2004 Science306(5696)666
• [5] Marsden A J, Papageorgiou D, Valles C, Liscio A, Palermo V, Bissett M, Young Rand Kinloch I 2018 2D Materials5(3)32003
• [6] Selvi H, Unsuree N, Whittaker E, Halsall M, Hill E, Thomas A, Parkinson P and Echter-meyer T 2018 Nanoscale10(7)3399
• [7] Manta A, Gresil M and Soutis C 2018 Composite Structures192452
• [8] Phillips J C, Braun R, Wang W, Gumbart J, Tajkhorshid E, Villa E, Chipot C, Skeel R D,Kalé L and Schulten K 2005 J. Comput. Chem.26(16)1781
• [9] Humphrey W, Dalke A and Schulten K 1996 J. Mol. Graph.14(1)33
• [10] Brünger A, Brooks C L and Karplus M 1984 Chem. Phys. Lett.105495
• [11] Tiberio G, Muccioli L, Berardi R and Zannoni C 2009 Chemphyschem10(1)125
• [12] Allen M P and Tildesley D J 1989 Computer Simulation of Liquids, Oxford University Press
• [13] de Gennes P G and Prost J 2003 The physics of liquid crystals, 2nded., Oxford University Press
• [14] Rose M E 1957 Elementary Theory of Angular Momentum, Wiley, New York
• [15] Zannoni C 1979 The Molecular Physics of Liquid Crystals, Luckhurst G R and Gray G WEds., Academic Press, London 191
• [16] Pelaez J and Wilson R M 2007 Phys. Chem. Chem. Phys.92968
• [17] Gwizdała W and Gburski Z 2015 TASKQuarterly19(1)35
• [18] Górny K, Raczyński P, Dendzik Z and Gburski Z 2015 J. Phys. Chem. C119(33)19266
• [19] Gray G W and Harrison K J 1971 Symp. Faraday Soc.554
• [20] Ferrarini A, Luckhurst G R and Nordio P L 1995 Molecular Physics85131

Uwagi

PL

Opracowanie rekordu w ramach umowy 509/P-DUN/2018 ze środków MNiSW przeznaczonych na działalność upowszechniającą naukę (2019).