Relating energy level alignment and amine-linked single molecule junction conductance

Nano Letters

Volumn 10, Issue 7, 2010, Pages 2470-2474

  Dell'Angela, M ^a,b,f   Kladnik, G ^c   Cossaro, A ^a   Verdini, A ^a   Kamenetska, M ^d   Tamblyn, I ^e   Quek, S Y ^e   Neaton, J B ^e   Cvetko, D ^c   Morgante, A ^a,b   Venkataraman, L ^d  

^a LABORATORIO TASC   (Italy)

^b UNIVERSITY OF TRIESTE   (Italy)

^c UNIVERSITY OF LJUBLJANA   (Slovenia)

^d Columbia University ^*  (United States)

^e LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^f UNIVERSITY OF HAMBURG   (Germany)

Author keywords

Benzenediamine; Density functional theory; Metal organic interface; Photoemission spectroscopy; Single molecule conductance

Indexed keywords

ALIGNMENT; CALCULATIONS; DENSITY FUNCTIONAL THEORY; FERMI LEVEL; GOLD; MOLECULAR ORBITALS; ORGANOMETALLICS; PHOTOELECTRON SPECTROSCOPY;

BENZENEDIAMINE; ELECTRONIC ENERGY LEVELS; FIRST-PRINCIPLES CALCULATION; HIGHEST OCCUPIED MOLECULAR ORBITAL; METAL-ORGANIC INTERFACE; SINGLE MOLECULE CONDUCTANCE; SINGLE-MOLECULE JUNCTIONS; X RAY PHOTOEMISSION SPECTROSCOPY;

MOLECULES;

EID: 77955341351     PISSN: 15306984     EISSN: 15306992     Source Type: Journal    
DOI: 10.1021/nl100817h     Document Type: Article

References (43)

1. Aviram, A.; Ratner, M. A. Chem. Phys. Lett. 1974, 29 (2) 277-283
2. Reichert, J.; Ochs, R.; Beckmann, D.; Weber, H. B.; Mayor, M.; von Lohneysen, H. Phys. Rev. Lett. 2002, 88 (17) 176804
3. Xu, B. Q.; Tao, N. J. J. Science 2003, 301 (5637) 1221-1223
4. Reed, M. A.; Zhou, C.; Muller, C. J.; Burgin, T. P.; Tour, J. M. Science 1997, 278 (5336) 252-254
5. Wu, S. M.; Gonzalez, M. T.; Huber, R.; Grunder, S.; Mayor, M.; Schonenberger, C.; Calame, M. Nat. Nanotechnol. 2008, 3 (9) 569-574
6. Venkataraman, L.; Klare, J. E.; Tam, I. W.; Nuckolls, C.; Hybertsen, M. S.; Steigerwald, M. L. Nano Lett. 2006, 6 (3) 458-462
7. Cahen, D.; Kahn, A. Adv. Mater. 2003, 15 (4) 271-277
8. Venkataraman, L.; Park, Y. S.; Whalley, A. C.; Nuckolls, C.; Hybertsen, M. S.; Steigerwald, M. L. Nano Lett. 2007, 7 (2) 502-506
9. Mowbray, D. J.; Jones, G.; Thygesen, K. S. J. Chem. Phys. 2008, 128 (11) 111103
10. Quinn, J. R.; Foss, F. W.; Venkataraman, L.; Breslow, R. J. Am. Chem. Soc. 2007, 129 (41) 12376-12377
11. Baheti, K.; Malen, J. A.; Doak, P.; Reddy, P.; Jang, S. Y.; Tilley, T. D.; Majumdar, A.; Segalman, R. A. Nano Lett. 2008, 8 (2) 715-719
12. Reddy, P.; Jang, S. Y.; Segalman, R. A.; Majumdar, A. Science 2007, 315 (5818) 1568-1571
13. Zangmeister, C. D.; Robey, S. W.; van Zee, R. D.; Kushmerick, J. G.; Naciri, J.; Yao, Y.; Tour, J. M.; Varughese, B.; Xu, B.; Reutt-Robey, J. E. J. Phys. Chem. B 2006, 110 (34) 17138-17144
14. Beebe, J. M.; Engelkes, V. B.; Miller, L. L.; Frisbie, C. D. J. Am. Chem. Soc. 2002, 124 (38) 11268-11269
15. Floreano, L.; Naletto, G.; Cvetko, D.; Gotter, R.; Malvezzi, M.; Marassi, L.; Morgante, A.; Santaniello, A.; Verdini, A.; Tommasini, F.; Tondello, G. Rev. Sci. Instrum. 1999, 70 (10) 3855-3864
16. Cvetko, D.; Lausi, A.; Morgante, A.; Tommasini, F.; Prince, K. C.; Sastry, M. Meas. Sci. Technol. 1992, 3 (10) 997-1000
17. Floreano, L.; Cossaro, A.; Gotter, R.; Verdini, A.; Bavdek, G.; Evangelista, F.; Ruocco, A.; Morgante, A.; Cvetko, D. J. Phys. Chem. C 2008, 112 (29) 10794-10802
18. The desorption temperature is defined as the temperature when the HAS signal has reached half its maximal value.
19. Quek, S. Y.; Venkataraman, L.; Choi, H. J.; Loule, S. G.; Hybertsen, M. S.; Neaton, J. B. Nano Lett. 2007, 7 (11) 3477-3482
20. Redhead, P. A. Vacuum 12 (4) 203-211
21. Lukas, S.; Vollmer, S.; Witte, G.; Woll, C. J. Chem. Phys. 2001, 114 (22) 10123-10130
22. Luk, Y. Y.; Abbott, N. L.; Crain, J. N.; Himpsel, F. J. J. Chem. Phys. 2004, 120 (22) 10792-10798
23. Cooney, R. R.; Urquhart, S. G. J. Phys. Chem. B 2004, 108 (47) 18185-18191
24. Stohr, J. NEXAFS Spectroscopy; Springer-Verlag: Heidelberg, Germany, 1992.
25. Vilmercati, P.; Castellarin-Cudia, C.; Gebauer, R.; Ghosh, P.; Lizzit, S.; Petaccia, L.; Cepek, C.; Larciprete, R.; Verdini, A.; Floreano, L.; Morgante, A.; Goldoni, A. J. Am. Chem. Soc. 2009, 131 (2) 644-652
26. Bruhwiler, P. A.; Karis, O.; Martensson, N. Rev. Mod. Phys. 2002, 74 (3) 703-740
27. Wurth, W.; Menzel, D. Chem. Phys. 2000, 251 (1-3) 141-149
28. Vilmercati, P.; Cvetko, D.; Cossaro, A.; Morgante, A. Surf. Sci. 2009, 603 (10-12) 1542-1556
29. Menzel, D. Chem. Soc. Rev. 2008, 37 (10) 2212-2223
30. Peisert, H.; Biswas, I.; Zhang, L.; Schuster, B.-E.; Casu, M. B.; Haug, A.; Batchelor, D.; Knupfer, M.; Chasse, T. J. Chem. Phys. 2009, 130 (19) 194705
31. Smith, M. B.; March, J. March's Advanced Organic Chemistry: Reactions, Mechanisms, and Structures, 5th ed.; John Wiley & Sons, Inc: New York, 2001.
32. Smith, N. V.; Chen, C. T.; Weinert, M. Phys. Rev. B 1989, 40 (11) 7565-7573
33. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77 (18) 3865-3868
34. Kresse, G.; Hafner, J. Phys. Rev. B: Condens. Matter Mater. Phys. 1993, 47, 558
35. Kresse, G.; Hafner, J. Phys. Rev. B: Condens. Matter Mater. Phys. 1994, 49, 14251
36. Neugebauer, J.; Scheffler, M. Phys. Rev. B 1992, 46 (24) 16067-16080
37. Soler, J. M.; Artacho, E.; Gale, J. D.; Garcia, A.; Junquera, J.; Ordejon, P.; Sanchez-Portal, D. J. Phys.: Condens. Matter 2002, 14 (11) 2745-2779
38. Hoft, R. C.; Ford, M. J.; McDonagh, A. M.; Cortie, M. B. J. Phys. Chem. C 2007, 111 (37) 13886-13891
39. Pong, B.; Lee, J.; Trout, B. L. Langmuir 2005, 21 (25) 11599-11603
40. Quek, S. Y.; Choi, H. J.; Louie, S. G.; Neaton, J. B. Nano Lett. 2009, 9 (11) 3949-3953
41. Neaton, J. B.; Hybertsen, M. S.; Louie, S. G. Phys. Rev. Lett. 2006, 97 (21) 216405
42. F separation of 0.2 (0.0) eV and 0.4 (0.1) eV in TMBDA and TFBDA, respectively.
43. Selzer, Y.; Cai, L. T.; Cabassi, M. A.; Yao, Y. X.; Tour, J. M.; Mayer, T. S.; Allara, D. L. Nano Lett. 2005, 5 (1) 61-65