Energy level alignment at interfaces between 3-(4-biphenylyl)-4-phenyl-5- (4-tert-butyl phenyl)-1, 2, 4-triazole (TAZ) and metals (Ca, Mg, Ag, and Au): Experiment and theory

Journal of Solid State Electrochemistry

Volumn 16, Issue 3, 2012, Pages 1141-1149

  Bhatt, Mahesh Datt ^b   Baba, Akihisa ^a   Sakurai, Takeaki ^a   Akimoto, Katsuhiro ^a  

^a UNIVERSITY OF TSUKUBA   (Japan)

^b Seoul National University   (South Korea)

Author keywords

Buffer layer; Electronic structure; Energy; Organic device; TAZ; Work function

Indexed keywords

BASIC MECHANISM; DENSITY FUNCTIONAL THEORY CALCULATIONS; ENERGY; ENERGY LEVEL ALIGNMENT; HIGHEST OCCUPIED MOLECULAR ORBITAL; INTERFACE DIPOLE; LOWEST UNOCCUPIED MOLECULAR ORBITAL; MECHANISM OF FORMATION; ORGANIC DEVICES; ORGANIC-METAL INTERFACES; TAZ;

BUFFER LAYERS; CALCIUM; ELECTRIC PROPERTIES; ELECTRONIC STRUCTURE; FERMI LEVEL; METALS; NITROGEN COMPOUNDS; QUANTUM CHEMISTRY; SILVER; ULTRAVIOLET PHOTOELECTRON SPECTROSCOPY; WORK FUNCTION;

INTERFACE STATES;

EID: 84859269392     PISSN: 14328488     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10008-011-1497-2     Document Type: Article

References (25)

1. D Fichou, C Ziegle (1999) Handbook of oligo- and polythiophenes. Ed. D. Fichou, Wiley-VCH, Weinheim, pp 183-282
2. Sirringhaus H, Tessler N, Friend RH (1998) Science 280:1741
3. Gigli G, Inganas O, Anni M, De Vittorio M, Cingolani R, Baibarella G, Favarctto L (2001) Appl Phys Lett 78:1493
4. Horowitz G, Kouki F, Valat P (1999) Phys Rev B 59:10651
5. Pope M, Swenberg CE (1999) Electronic processes in organic crystals and polymers. Oxford University Press, New York
6. Bussi G, Runi A, Molinari E, Caldas MJ, Puschnig P, Ambrosch- Draxl C (2002) App Phys Lett 80:4118
7. Cheng YC, Silbey RJ, da Silva Filho DA, Calbert JP, Cornil J, Bredas JL (2003) J Chem Phys 118:3764
8. Tiago ML, Northrup JE, Louie SG (2003) Phys Rev B 67:115212
9. Hummer K, Ambrosch-Draxl C (2005) Phys Rev B 72:205205
10. Ishii H, Sugiyama K, Ito E, Seki K (1999) Adv Mater (Weinheim, Germany) 11:605
11. Ishii H, Oji H, Ito E, Hayashi N, Yoshimura D, Seki K (2000) J Lumin 87-89:61
12. Ishii H, Hayashi N, Ito E, Washizu Y, Sugi K, Kimura Y, Niwano M, Ouchi Y, Seki K (2004) Phys Status Solidi A 201:1075
13. Song QL, Li FY, Yang H, Wu HR, Wang XZ, Zhou W, Zhao JM, Ding XM, Huang CH, Hou XY (2005) Chem Phys Lett 416:42
14. Yang Y, Teng F, Zhou Q, Wang Y (2006) Appl Surf Sci 252:2355
15. Kido J, Ohtaki C, Hongawa K, Okuyama K, Nagai K (1993) Jpn J Appl Phys 32:917
16. Kido J, Hongawa K, Okuyama K, Nagai K (1993) Appl Phys Lett 63:2627
17. Kido J, Hongawa K, Okuyama K, Nagai K (1994) Appl Phys Lett 64:815
18. Burrows PE, Forrest SR, Thompson ME (1997) Curr Opin Solid State 2:236
19. Lee CL, Lee KB, Kim JJ (2000) Appl Phys Lett 77:2280
20. Picozzi S, Pecchia A, Gheorghe M, Carlo A, Lugli P, Delley B, Elstner M (2003) Phys Rev B 68:195309
21. Schmidt MW, Baldridge KK, Boatz JA, Elbert ST, Gordon MS, Jensen JH, Koseki S, Matsunaga N, Nguyen KA, Su S, Windus TL, Dupuis M, Montgomery JA (1993) J Comput Chem 14:1347
22. Pogrebnaya TP, Becke AD (1988) Phys Rev A 38:3098
23. Lee C, Yang W, Parr RG (1988) Phys Rev B 37:785
24. Vosko SH, Wilk L, Nusair M (1980) Canad J Phys 58:1200
25. Boys SF, Bernardi F (1970) Mol Phys 19:553