The role of substrate in packing structures of sexithiophenes on ag (111) surface: Molecular dynamics simulations and quantum chemical calculations

Journal of Theoretical and Computational Chemistry

Volumn 8, Issue 4, 2009, Pages 677-690

  Wen, Jin ^a   Ma, Jing ^a  

^a NANJING UNIVERSITY   (China)

Author keywords

Conducting polymers; Density functional theory; Metalsemiconductor nonmagnetic thin film structures; Molecular dynamics; Silver surface

Indexed keywords

EID: 70349271254     PISSN: 02196336     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0219633609005003     Document Type: Article

References (39)

1. Witte G, Wöll C, J Mater Res 19:1889-1916, 2004 and therein.
2. Ivanco J, Krenn JR, Ramsey MG et al., J Appl Phys 96:2716-2724, 2004.
3. Kiguchi M, Yoshikawa G, Saiki K, J Appl Phys 94:4866-4870, 2003.
4. Kiguchi M, Entani S, Saiki K et al., Appl Phys Lett 84:3444-3446, 2004.
5. Soukopp A, Glöckler K, Kraft P et al., Phys Rev B 58:13882-13894, 1998.
6. Umbach E, Gebauer W, Soukopp A et al., J Lumin 76-77:641-651, 1998.
7. Soukopp A, Seidel C, Li R et al., Thin Solid Films 284-285:343-346, 1996.
8. Gebauer W, Bäßler M, Soukopp A et al., Synth Met 83:227-230, 1996.
9. Duhm S, Heimel G, Salzmann I et al., Nat Mater 7:326-332, 2008.
10. Yoshikawa G, Kiguchi M, Ikeda S et al., Surf Sci 559:77-84, 2004.
11. Zhang HL, Chen W, Chen L et al., Small 3:2015-2018, 2007.
12. Heiner CE, Dreyer J, Hertel IV et al., Appl Phys Lett 87:093501, 2005.
13. Prato S, Floreano L, Cvetko D et al., J Phys Chem B 103:7788-7795, 1999.
14. Glowatzki H, Duhm S, Braun K-F et al., Phys Rev B 76:125425, 2007.
15. Mäkinene AJ, Long JP, Watkins NJ et al., J Phys Chem B 109:5790-5795, 2005.
16. Kiel M, Duncker K, Hagendorf C et al., Phys Rev B 75:195439, 2007.
17. Majumder C, Mizuseki H, Kawazoe Y, J Chem Phys 118:9809-9813, 2003.
18. Elfeninat F, Fredriksson C, Sacher E et al., J Chem Phys 102:6153-6158, 1995.
19. Higai S, Nara J, Ohno T, Surf Sci 600:685-692, 2006.
20. Orita H and Itoh N, Surf Sci 550:177-184, 2004.
21. Mittendorfer F and Hafner J, Surf Sci 492:27-33, 2001.
22. DeLongchamp DM, Sambasivan S, Fischer DA et al., Adv Mater 17:2340-2344, 2005.
23. Schön JH, Dodabalapur A, Kloc Ch et al., Science 290:963-965, 2000.
24. Haran M, Goose JE, Clote NP et al., Langmuir 23:4897-4909, 2007.
25. Gesquìere A, Abdel-Mottaleb MMS, De Feyter S et al., Langmuir 16:10385-10391, 2000.
26. Garnier F, Yassar A, Hajlaoui R et al., J Am Chem Soc 115:8716-8721, 1993.
27. Sun H, Macromolecules 28:701-712, 1995.
28. Haran M, Engstrom JR, Clancy P, J Am Chem Soc 128:836-847, 2006.
29. Zhang G, Pei Y, Ma J et al., J Phys Chem B 108:6988-6995, 2004.
30. Zhang G, Ma J, Wen J, J Phys Chem B 111:11670-11679, 2007.
31. Panas I, Schüle J, Siegbahn P et al., Chem Phys Lett 149:265-272, 1988.
32. Siegbahn PEM, Pettersson LGM, Wahlgren U, J Chem Phys 94:4024-4030, 1991.
33. Olivera PP, Ferral A, Patrito EM, J Phys Chem B 105:7227-7238, 2001.
34. Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA, Jr, Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox JE, Hratchian HP, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannen-berg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PM W, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA, Gaussian 03, Revision D.01, Gaussian Inc., Wallingford, CT, 2004.
35. Nośe S, J Chem Phys 81:511-519, 1984.
36. Kertesz M, in Nalwa HS (ed.), Handbook of Organic Conductive Molecules and Polymers, Vol.4, John Wiley & Sons Ltd, New York, pp. 147-172, 1997.
37. Materials studio, Version 4.0, Accelrys Inc., San Diego, 2006.
38. Horowitz G, Bachet B, Yassar A et al., Chem Mater 7:1337-1341, 1995.
39. Curćo D and Aleḿan C, J Comput Chem 28:1743-1749, 2007.