Liquid crystal (8CB) molecular adsorption on lithium niobate Z-Cut surfaces

Journal of Physical Chemistry C

Volumn 119, Issue 17, 2015, Pages 9342-9346

  Braun, C ^a   Sanna, S ^a   Schmidt, W G ^a  

^a UNIVERSITY OF PADERBORN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CHEMICAL BONDS; LIQUID CRYSTALS; LITHIUM; MOLECULES; NIOBIUM COMPOUNDS;

BONDING CONFIGURATIONS; INTERFACE ENERGY; ISOLATED MOLECULES; LIQUID CRYSTAL MOLECULES; LITHIUM NIOBATE; MOLECULAR ADSORPTION; SURFACE POLARIZATIONS;

DENSITY FUNCTIONAL THEORY;

EID: 84928801468     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/acs.jpcc.5b00894     Document Type: Article

References (40)

1. Matthias, B. T.; Remeika, J. P. Ferroelectricity in the Ilmenite Structure Phys. Rev. 1949, 76, 1886-1887
2. Weis, R. S.; Gaylord, T. K. Lithium Niobate: Summary of Physical Properties and Crystal Structure Appl. Phys. A:Mater. Sci. Process. 1985, 37, 191-203
3. Ishigame, Y.; Suhara, T.; Nishihara, H. LiNbO3 Waveguide Second-Harmonic-Generation Device Phase Matched with a Fan-Out Domain-Inverted Grating Opt. Lett. 1991, 16, 375-377
4. Thyagarajan, K.; Lugani, J.; Ghosh, S.; Sinha, K.; Martin, A.; Ostrowsky, D. B.; Alibart, O.; Tanzilli, S. Generation of Polarization-Entangled Photons Using Type-II Doubly Periodically Poled Lithium Niobate Waveguides Phys. Rev. A 2009, 80, 052321-052329
5. Sanna, S.; Schmidt, W. G. Lithium Niobate X-Cut, Y-Cut, and Z-Cut Surfaces from Ab Initio Theory Phys. Rev. B 2010, 81, 214116-214127
6. Sanna, S.; Rode, S.; Hölscher, R.; Klassen, S.; Marutschke, C.; Kobayashi, K.; Yamada, H.; Schmidt, W. G.; Kühnle, A. Charge Compensation by Long-Period Reconstruction in Strongly Polar Lithium Niobate Surfaces Phys. Rev. B 2013, 88, 115422-115427
7. Sanna, S.; Hölscher, R.; Schmidt, W. G. Temperature Dependent LiNbO3(0001): Surface Reconstruction and Surface Charge Appl. Surf. Sci. 2014, 301, 70-78
8. Namkoong, G.; Lee, K.-K.; Madison, S. M.; Henderson, W.; Ralph, S. E.; Doolittle, W. A. III-Nitride Integration on Ferroelectric Materials of Lithium Niobate by Molecular Beam Epitaxy Appl. Phys. Lett. 2005, 87, 171107-171110
9. Ougazzaden, A.; Moudakir, T.; Aggerstam, T.; Orsal, G.; Salvestrin, J. P.; Gautier, S.; Sirenko, A. A. GaN Thin Films on Z- and C-Cut LiNbO3 Substrates by MOVPE Phys. Status Solidi C 2008, 5, 1565-1567
10. Li, D.; Zhao, M. H.; Garra, J.; Kolpak, A. M.; Rappe, A. M.; Bonnell, D. A.; M, V. J. Direct in situ Determination of the Polarization Dependence of Physisorption on Ferroelectric Surfaces Nat. Mater. 2008, 7, 473-477
11. Hanson, J. N.; Rodriguez, B. J.; Nemanich, R. J.; Gruverman, A. Fabrication of Metallic Nanowires on a Ferroelectric Template via Photochemical Reaction Nanotechnology 2006, 17, 4946-4949
12. Stock, M.; Dunn, S. LiNbO3 A New Material for Artificial Photosynthesis IEEE Trans. Ultrason., Ferroelectr., Freq. Control 2011, 58, 1988-1993
13. Stock, M.; Dunn, S. Influence of the Ferroelectric Nature of Lithium Niobate to Drive Photocatalytic Dye Decolorization under Artificial Solar Light J. Phys. Chem. C 2012, 116, 20854-20859
14. Ferris, R.; Yellen, B.; Zauscher, S. Ferroelectric Thin Films in Fluidic Environments: A New Interface for Sensing and Manipulation of Matter Small 2011, 8, 28-35
15. Huang, S.; Luo, J.; Yip, H.-L.; Ayazi, A.; Zhou, X.-H.; Gould, M.; Chen, A.; Baehr-Jones, T.; Hochberg, M.; Jen, A. K. Y. Efficient Poling of Electro-Optic Polymers in Thin Films and Silicon Slot Waveguides by Detachable Pyroelectric Crystals Adv. Mater. 2011, 24, OP42-OP47
16. Merola, F.; Grilli, S.; Coppola, S.; Vespini, V.; De Nicola, S.; Maddalena, P.; Carfagna, C.; Ferraro, P. Reversible Fragmentation and Self-Assembling of Nematic Liquid Crystal Droplets on Functionalized Pyroelectric Substrates Adv. Funct. Mater. 2012, 22, 3267-3272
17. Jägemalm, P.; Komitov, L.; Barbero, G. An Electro-Optic Device Based on Field-Controlled Anchoring of a Nematic Liquid Crystal Appl. Phys. Lett. 1998, 73, 1616-1618
18. Kim, T. H.; Lee, Y. W.; Lee, I. W.; Choi, S. C. Optimization of Resolution and Color Reproduction by Controlling Luminance and Contrast Levels of a Liquid-Crystal Display Monitor Appl. Opt. 2000, 39, 2054-2058
19. Ren, H.; Wu, S.-T. Adaptive Liquid Crystal Lens with Large Focal Length Tunability Opt. Express 2006, 14, 11292-11298
20. Ghattan, Z.; Hasek, T.; Wilk, R.; Shahabadi, M.; Koch, M. Sub-Terahertz On-Off Switch Based on a Two-Dimensional Photonic Crystal Infiltrated by Liquid Crystals Opt. Commun. 2008, 281, 4623-4625
21. Gueu, K. P.; Megnassan, E.; Proutiere, A. Dipole Moments of 4-n Alkyl-4-cyanobiphenyl Molecules (from OCB to 12CB) Measurement in Four Solvents and Theoretical Calculations Mol. Cryst. Liq. Cryst. 1986, 132, 303-323
22. Kresse, G.; Furthmueller, J. Efficient Iterative Schemes for Ab Initio Total-Energy Calculations Using a Plane-Wave Basis Set Phys. Rev. 1996, 54, 11169-11186
23. Blöchl, P. E. Projector Augmented-Wave Method Phys. Rev. B 1994, 50, 17953-17979
24. Perdew, J. P.; Yue, W. Accurate and Simple Density Functional for the Electronic Exchange Energy: Generalized Gradient Approximation Phys. Rev. B 1986, 33, 8800-8802
25. Ortmann, F.; Schmidt, W. G.; Bechstedt, F. Attracted by Long-Range Electron Correlation: Adenine on Graphite Phys. Rev. Lett. 2005, 95, 186101-186105
26. Schmidt, W. G.; Seino, K.; Preuss, M.; Hermann, A.; Ortmann, F.; Bechstedt, F. Organic Molecule Adsorption on Solid Surfaces: Chemical Bonding, Mutual Polarisation and Dispersion Interaction Appl. Phys. A: Mater. Sci. Process. 2006, 85, 387-397
27. Rohlfing, M.; Bredow, T. Binding Energy of Adsorbates on a Noble-Metal Surface: Exchange and Correlation Effects Phys. Rev. Lett. 2008, 101, 266106-266110
28. Atodiresei, N.; Caciuc, V.; LazicI, P.; Blügel, S. Chemical Versus van der Waals Interaction: The Role of the Heteroatom in the Flat Absorption of Aromatic Molecules C6H6, C5NH5, and C4N2H4 on the Cu(110) Surface Phys. Rev. Lett. 2009, 102, 136809-136813
29. Thierfelder, C.; Witte, M.; Blankenburg, S.; Rauls, E.; Schmidt, W. G. Methane Adsorption on Graphene from First Principles Including Dispersion Interaction Surf. Sci. 2011, 605, 746-749
30. Elstner, M.; Hobza, P.; Frauenheim, T.; Suhai, S.; Kaxiras, E. Hydrogen Bonding and Stacking Interactions of Nucleic Acid Base Pairs: A Density-Functional-Theory Based Treatment J. Chem. Phys. 2001, 114, 5149-5155
31. Hasegawa, M.; Nishidate, K. Semiempirical Approach to the Energetics of Interlayer Binding in Graphite Phys. Rev. B 2004, 70, 205431-205437
32. Ortmann, F.; Bechstedt, F.; Schmidt, W. G. Semiempirical van der Waals Correction to the Density Functional Description of Solids and Molecular Structures Phys. Rev. B 2006, 73, 205101-205111
33. Grimme, S. Semiempirical GGA-Type Density Functional Constructed with a Long-Range Dispersion Correction J. Comput. Chem. 2006, 27, 1787-1799
34. London, F. Über einige Eigenschaften und Anwendungen der Molekularkräfte Z. Phys. Chem., Abt. B 1930, 11, 222-251
35. Grimme, S.; Antony, J.; Ehrlich, S.; Krieg, H. Semiempirical GGA-Type Density Functional Constructed with a Long-Range Dispersion Correction J. Chem. Phys. 2010, 132, 154104-154123
36. McNellis, E. R.; Meyer, J.; Reuter, K. Azobenzene at Coinage Metal Surfaces: Role of Dispersive van der Waals Interactions Phys. Rev. B 2009, 80, 205414-205424
37. Levchenko, S. V.; Rappe, A. M. Influence of Ferroelectric Polarization on the Equilibrium Stoichiometry of Lithium Niobate (0001) Surfaces Phys. Rev. Lett. 2008, 100, 256101-256105
38. Pestov, S. In Physical Properties of Liquid Crystals; Vill, V., Ed.; SpringerMaterials The Landolt-Börnstein Database; Springer-Verlag: New York, 2003; Vol. 5A; p 59.
39. Kuribayashi, M.; Hori, K. 4-Cyano-4-oetylbiphenyl Acta Crystallogr., Sect. C 1998, 54, 1475-1477
40. Merola, F.; Grilli, S.; Coppola, S.; Vespini, V.; De Nicola, S.; Maddalena, P.; Carfagna, C.; Ferraro, P. Manipulation of Nematic Liquid Crystal Microdroplets by Pyroelectric Effect Mol. Cryst. Liq. Cryst. 2013, 572, 66-71