Inhomogeneous charge transfer within monolayer zinc phthalocyanine absorbed on TiO 2(110)

Journal of Chemical Physics

Volumn 136, Issue 15, 2012, Pages

  Yu, Shun ^a   Ahmadi, Sareh ^a   Sun, Chenghua ^b   Adibi, Pooya Tabib Zadeh ^a   Chow, Winnie ^a   Pietzsch, Annette ^c   Göthelid, Mats ^a  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b UNIVERSITY OF QUEENSLAND   (Australia)

^c LUND UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE DEPLETION; D ORBITALS; FRONTIER ORBITALS; HIGHEST OCCUPIED MOLECULAR ORBITAL; METAL CENTERS; METALPHTHALOCYANINES; MODEL SYSTEM; MOLECULAR PLANES; NEAR EDGE X-RAY ABSORPTION FINE STRUCTURE SPECTROSCOPIES; ORBITALS; ORGANIC LIGANDS; OXIDE SURFACE; PEAK SHIFT; TIO; TRANSFER CHANNEL; TRANSITION-METAL CENTERS; ZINC PHTHALOCYANINES;

BINDING ENERGY; ELECTRONIC PROPERTIES; LIGANDS; MONOLAYERS; NITROGEN COMPOUNDS; PHOTOELECTRON SPECTROSCOPY; QUANTUM CHEMISTRY; TITANIUM DIOXIDE; TRANSITION METALS; X RAY ABSORPTION FINE STRUCTURE SPECTROSCOPY; ZINC COMPOUNDS;

CHARGE TRANSFER;

EID: 84860168047     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3699072     Document Type: Article

References (67)

1. A. W. Hains, Z. Liang, M. A. Woodhouse, and B. A. Gregg, Chem. Rev. 110, 6689-735 (2010). 10.1021/cr9002984
2. K. Y. Law, Chem. Rev. 93, 449-486 (1993). 10.1021/cr00017a020
3. G. Mattioli, F. Filippone, P. Giannozzi, R. Caminiti, and A. Amore Bonapasta, Phys. Rev. Lett. 101, 126805 (2008). 10.1103/PhysRevLett.101.126805
4. G. Mattioli, F. Filippone, P. Giannozzi, R. Caminiti, and A. Amore Bonapasta, Chem. Mater. 21, 4555-4567 (2009). 10.1021/cm9014755
5. N. Papageorgiou, E. Salomon, T. Angot, J.-M. Layet, L. Giovanelli, and G. Le Lay, Prog. Surf. Sci. 77, 139-170 (2004). 10.1016/j.progsurf.2005.01.001
6. M. Grobosch, V. Yu. Aristov, O. V. Molodtsova, C. Schmidt, B. P. Doyle, S. Nannarone, and M. Knupfer, J. Phys. Chem. C 113, 13219-13222 (2009). 10.1021/jp901731y
7. P. Gargiani, A. Calabrese, C. Mariani, and M. G. Betti, J. Phys. Chem. C 114, 12258-12264 (2010). 10.1021/jp103946v
8. P. Gargiani, M. Angelucci, C. Mariani, and M. G. Betti, Phys. Rev. B 81, 085412 (2010). 10.1103/PhysRevB.81.085412
9. M. Hming, M. Greif, M. Wiener, A. Schll, and F. Reinert, Surf. Sci. 604, 1619-1622 (2010). 10.1016/j.susc.2010.06.004
10. W. Chen, H. Huang, S. Chen, X. Y. Gao, and A. T. S. Wee, J. Phys. Chem. C 112, 5036-5042 (2008). 10.1021/jp710722s
11. S. Yim, S. Heutz, and T. S. Jones, Phys. Rev. B 67, 165308 (2003). 10.1103/PhysRevB.67.165308
12. A. Hagfeldt, G. Boschloo, L. Sun, L. Kloo, and H. Pettersson, Chem. Rev. 110, 6595-663 (2010). 10.1021/cr900356p
13. P. Palmgren, K. Nilson, S. Yu, F. Hennies, T. Angot, C. I. Nlebedim, J.-M. Layet, G. Le Lay, and M. Gthelid, J. Phys. Chem. C 112, 5972-5977 (2008). 10.1021/jp711311s
14. P. Palmgren, S. Yu, F. Hennies, K. Nilson, B. kermark, and M. Gthelid, J. Chem. Phys. 129, 074707 (2008). 10.1063/1.2969081
15. S. Yu, S. Ahmadi, P. Palmgren, F. Hennies, M. Zuleta, and M. Gthelid, J. Phys. Chem. C 113, 13765-13771 (2009). 10.1021/jp902814d
16. P. Palmgren, B. Priya, N. Niraj, and M. Gthelid, Solar Energy Mater. Solar Cells 90, 3602-3613 (2006). 10.1016/j.solmat.2006.06.054
17. Fitt-win is the Windows version of Fitt, a free software developed by Hyun-Jo Kim, berd@escalab.snu.ac.kr (2000).
18. B. Delley, J. Chem. Phys. 92, 508 (1990). 10.1063/1.458452
19. B. Delley, J. Chem. Phys. 113, 7756 (2000). 10.1063/1.1316015
20. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865-3868 (1996). 10.1103/PhysRevLett.77.3865
21. B. Brena, Y. Luo, M. Nyberg, S. Carniato, K. Nilson, Y. Alfredsson, J. hlund, N. Mrtensson, H. Siegbahn, and C. Puglia, Phys. Rev. B 70, 195214 (2004). 10.1103/PhysRevB.70.195214
22. L. Zhang, H. Peisert, I. Biswas, M. Knupfer, D. Batchelor, and T. Chass, Surf. Sci. 596, 98-107 (2005). 10.1016/j.susc.2005.08.022
23. U. Weiler, T. Mayer, W. Jaegermann, C. Kelting, D. Schlettwein, S. Makarov, and D. Whrle, J. Phys. Chem. B 108, 19398-19403 (2004). 10.1021/jp0467200
24. S. Wendt, P. T. Sprunger, E. Lira, G. K. H. Madsen, Z. Li, J.. Hansen, J. Matthiesen, A. Blekinge-Rasmussen, E. Lgsgaard, B. Hammer, and F. Besenbacher, Science 320, 1755-9 (2009). 10.1126/science.1159846
25. M.-S. Liao and S. Scheiner, J. Chem. Phys. 114, 9780 (2001). 10.1063/1.1367374
26. G. Ricciardi, A. Rosa, and E. J. Baerends, J. Phys. Chem. A 105, 5242-5254 (2001). 10.1021/jp0042361
27. L. Giovanelli, P. Vilmercati, C. Castellarin-Cudia, J.-M. Themlin, L. Porte, and A. Goldoni, J. Chem. Phys. 126, 044709 (2007). 10.1063/1.2432115
28. A. Rienzo, L. C. Mayor, G. Magnano, C. J. Satterley, E. Ataman, J. Schnadt, K. Schulte, and J. N. O'shea, J. Chem. Phys. 132, 084703 (2010). 10.1063/1.3336747
29. U. Diebold, Surf. Sci. Rep. 48, 53-229 (2003). 10.1016/S0167-5729(02) 00100-0
30. C. D. Valentin, G. Pacchioni, and A. Selloni, Phys. Rev. Lett. 97, 166803 (2006). 10.1103/PhysRevLett.97.166803
31. S. Yu, S. Ahmadi, C. Sun, P. Palmgren, F. Hennies, M. Zuleta, and M. Gthelid, J. Phys. Chem. C 114, 2315-2320 (2010). 10.1021/jp911038r
32. S. Yu, S. Ahmadi, M. Zuleta, H. Tian, K. Schulte, A. Pietzsch, F. Hennies, J. Weissenrieder, X. Yang, and M. Gthelid, J. Chem. Phys. 133, 224704 (2010). 10.1063/1.3509389
33. L.-Q. Wang, A. N. Shultz, D. R. Baer, and M. H. Engelhard, J. Vac. Sci. Technol. A 14, 1532-1538 (1996). 10.1116/1.580291
34. M. Gthelid, S. Yu, S. Ahmadi, C. Sun, and M. Zuleta, Int. J. Photoenergy 2011, 1-6 (2011). 10.1155/2011/401356
35. I. Bruder, J. Schneboom, R. Dinnebier, A. Ojala, S. Schfer, R. Sens, P. Erk, and J. Weis, Org. Electron. 11, 377-387 (2010). 10.1016/j.orgel.2009.11.016
36. E. M. J. Johansson, M. Odelius, P. G. Karlsson, H. Siegbahn, A. Sandell, and H. Rensmo, J. Chem. Phys. 128, 184709 (2008). 10.1063/1.2913245
37. H. Peisert, M. Knupfer, T. Schwieger, J. M. Auerhammer, M. S. Golden, and J. Fink, J. Appl. Phys. 91, 4872 (2002). 10.1063/1.1459620
38. H. Peisert, A. Petershans, and T. Chass, J. Phys. Chem. C 112, 5703-5706 (2008). 10.1021/jp800674z
39. P. A. Brhwiler, O. Karis, and N. Mrtensson, Rev. Mod. Phys. 74, 703-740 (2002). 10.1103/RevModPhys.74.703
40. J. Sthr, NEXAFS Spectroscopy (Springer-Verlag, Berlin, 1992).
41. J. Sthr and D. A. Outka, Phys. Rev. B 36, 7895 (1987).
42. V. Lanzilotto, C. Sanchez-Sanchez, G. Bavdek, D. Cvetko, M. F. Lopez, J. A. Martin-Gago, and L. Floreano, J. Phys. Chem. C 2, 110224123313029 (2011).
43. Y. Wang, Y. Ye, and K. Wu, J. Phys. Chem. B 110, 17960-5 (2006). 10.1021/jp061363+
44. S. Godlewski, A. Tekiel, J. Budzioch, A. Gourdon, J. S. Prauzner-Bechcicki, and M. Szymonski, ChemPhysChem 10, 3278-84 (2009). 10.1002/cphc.200900606
45. J. D. Baran, J. A. Larsson, R. A. J. Woolley, Y. Cong, P. J. Moriarty, A. A. Cafolla, K. Schulte, and V. R. Dhanak, Phys. Rev. B 81, 075413 (2010). 10.1103/PhysRevB.81.075413
46. H. Yamane, A. Gerlach, S. Duhm, Y. Tanaka, T. Hosokai, Y. Y. Mi, J. Zegenhagen, N. Koch, K. Seki, and F. Schreiber, Phys. Rev. Lett. 105, 046103 (2010). 10.1103/PhysRevLett.105.046103
47. H. Peisert, D. Kolacyak, and T. Chass, J. Phys. Chem. C 113, 19244-19250 (2009). 10.1021/jp9057548
48. A. Gerlach, F. Schreiber, S. Sellner, H. Dosch, I. A. Vartanyants, B. C. C. Cowie, T.-L. Lee, and J. Zegenhagen, Phys. Rev. B 71, 205425 (2005). 10.1103/PhysRevB.71.205425
49. Y. Zhang, S. Wang, T. Learmonth, L. Plucinski, A. Matsuura, S. Bernardis, C. O'Donnell, J. Downes, and K. Smith, Chem. Phys. Lett. 413, 95-99 (2005). 10.1016/j.cplett.2005.07.066
50. P. L. Cook, W. Yang, X. Liu, J. M. Garca-Lastra, A. Rubio, and F. J. Himpsel, J. Chem. Phys. 134, 204707 (2011). 10.1063/1.3592937
51. W. Chen, D. C. Qi, Y. L. Huang, H. Huang, Y. Z. Wang, S. Chen, X. Y. Gao, and A. T. S. Wee, J. Phys. Chem. C 113, 12832-12839 (2009). 10.1021/jp903139q
52. B.-E. Schuster, M. Benedetta Casu, I. Biswas, A. Hinderhofer, A. Gerlach, F. Schreiber, and T. Chass, Phys. Chem. Chem. Phys. 11, 9000-4 (2009). 10.1039/b912790a
53. E. Salomon, N. Papageorgiou, T. Angot, A. Verdini, A. Cossaro, L. Floreano, A. Morgante, L. Giovanelli, and G. Le Lay, J. Phys. Chem. C 111, 12467-12471 (2007). 10.1021/jp073373w
54. O. V. Molodtsova, M. Knupfer, V. V. Maslyuk, D. V. Vyalikh, V. M. Zhilin, Y. A. Ossipyan, T. Bredow, I. Mertig, and V. Y. Aristov, J. Chem. Phys. 129, 154705 (2008). 10.1063/1.2993163
55. O. V. Molodtsova and M. Knupfer, J. Appl. Phys. 104, 083704 (2008). 10.1063/1.3000105
56. S. Kera, M. B. Casu, A. Schll, T. Schmidt, D. Batchelor, E. Rhl, and E. Umbach, J. Chem. Phys. 125, 014705 (2006). 10.1063/1.2212406
57. F. Evangelista, V. Carravetta, G. Stefani, B. Jansik, M. Alagia, S. Stranges, and A. Ruocco, J. Chem. Phys. 126, 124709 (2007). 10.1063/1.2712435
58. A. Nilsson, O. Bjneholm, E. O. F. Zdansky, H. Tillborg, N. Mrtensson, J. N. Andersen, and R. Nyholm, Chem. Phys. Lett. 197, 12-16 (1992). 10.1016/0009-2614(92)86013-8
59. W. Wurth, D. Coulman, A. Puschmann, D. Menzel, and E. Umbach, Phys. Rev. B 41, 12933-12936 (1990). 10.1103/PhysRevB.41.12933
60. O. V. Molodtsova, M. Knupfer, V. Yu. Aristov, D. V. Vyalikh, V. M. Zhilin, and Y. A. Ossipyan, J. Appl. Phys. 103, 053711 (2008). 10.1063/1.2874001
61. V. Y. Aristov, O. V. Molodtsova, V. V. Maslyuk, D. V. Vyalikh, T. Bredow, I. Mertig, A. B. Preobrajenski, and M. Knupfer, Org. Electron. 11, 1461-1468 (2010). 10.1016/j.orgel.2010.04.028
62. V. Y. Aristov, O. V. Molodtsova, and M. Knupfer, Org. Electron. 12, 372-375 (2011). 10.1016/j.orgel.2010.12.003
63. I. Krger, B. Stadtmller, C. Stadler, J. Ziroff, M. Kochler, A. Stahl, F. Pollinger, T.-L. Lee, J. Zegenhagen, F. Reinert, and C. Kumpf, New J. Phys. 12, 083038 (2010). 10.1088/1367-2630/12/8/083038
64. M. P. de Jong, R. Friedlein, S. L. Sorensen, G. hrwall, W. Osikowicz, C. Tengsted, S. K. M. Jnsson, M. Fahlman, and W. R. Salaneck, Phys. Rev. B 72, 035448 (2005). 10.1103/PhysRevB.72.035448
65. W. Eberhardt, Physica Scripta T17, 28-38 (1987). 10.1088/0031-8949/1987/ T17/004
66. W. Eberhardt, J. Sthr, D. Outka, and R. J. Madix, Solid State Commun. 54, 493-496 (1985). 10.1016/0038-1098(85)90654-4
67. N. Tsukahara, K.-I. Noto, M. Ohara, S. Shiraki, N. Takagi, Y. Takata, J. Miyawaki, M. Taguchi, A. Chainani, S. Shin, and M. Kawai, Phys. Rev. Lett. 102, 167203 (2009). 10.1103/PhysRevLett.102.167203