Interaction of bathocuproine with metals (Ca, Mg, Al, Ag, and Au) studied by density functional theory

Applied Surface Science

Volumn 256, Issue 9, 2010, Pages 2661-2667

  Bhatt, Mahesh Datt ^a   Suzuki, Shugo ^a   Sakurai, Takeaki ^a   Akimoto, Katsuhiro ^a  

^a UNIVERSITY OF TSUKUBA   (Japan)

Author keywords

Bathocuproine; Density functional theory; Interface states; Organic solar cell

Indexed keywords

CHARGE TRANSFER; CHEMICAL BONDS; ELECTRON TRANSPORT PROPERTIES; ELECTRONIC STRUCTURE; INTERFACE STATES; METALS; MOLECULAR ORBITALS; ORGANIC SOLAR CELLS; WORK FUNCTION;

BATHOCUPROINE; BOND ENERGIES; LOWEST UNOCCUPIED MOLECULAR ORBITAL; METAL SURFACES; ORBITAL COMPONENTS;

DENSITY FUNCTIONAL THEORY;

EID: 75249087355     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2009.11.044     Document Type: Review

References (25)

1. Halls J.J.M., Walsh C.A., Greenham N.C., Marseglia E.A., Friend R.H., Moratti S.C., and Holms A.B. Nature 376 (1995) 498
2. Yu G., Gao J., Hummelen J.C., Wudl F., and Heeger A.J. Science 270 (1995) 1789
3. Roman L.S., Mammo W., Petterson L.A.A., Andersson M.R., and Inganas O. Adv. Mater. 10 (1998) 774
4. Granstrom M., Petritsch K., Arias A.C., Lux A., Andersson M.R., and Friend R. Nature 395 (1998) 257
5. Schmidt-Mende L., Fechtenkotter A., Mullen K., Moons E., Friend R.H., and MacKenzie J.D. Science 293 (2001) 1119
6. Goetzberg A., and Hebling C. Solar Energy Mater. Solar Cells 62 (2000) 1
7. Yanagisawa S., and Morikawa Y. Chem. Phys. Lett. 420 (2006) 523
8. Ishii H., Sugiyama K., Ito E., and Seki K. Adv. Mater. 11 (1999) 605
9. Bagus P.S., Staemmler V., and Woll C. Phys. Rev. Lett. 89 (2002) 096104
10. Crispin X., Geskin V., Crispin A., Cornil J., Lazzaroni R., Salaneck W.R., and Bredas J.L. J. Am. Chem. Soc. 124 (2002) 8131
11. Morikawa Y., Ishii H., and Seki K. Phys. Rev. B 69 (2004) 041403 (R)
12. Vazquez H., Qszwaldowski R., Pou P., Ortega J., Perez R., Flores F., and Kahn A. Europhys. Lett. 65 (2004) 802
13. Kera S., Yabuuchi Y., Amine H., Setoyama H., Okudaira K.K., Kahn A., and Ueno N. Phys. Rev. B 70 (2004) 085304
14. Crispin X. Sol. Energy Mater. Solar Cells 83 (2004) 147
15. Hill I.G., Schwartz J., and Kahn A. Org. Electron. 1 (2000) 5
16. Shen C., and Kahn A. Org. Electron. 2 (2001) 89
17. Hill I.G., Rajagopal A., and Kahn A. J. Appl. Phys. 84 (1998) 3236
18. Eremtchenko M., Bauer D., Schaefer J.A., and Tautz F.S. New J. Phys. 6 (2004) 4
19. Picozzi S., Pecchia A., Gheorghe M., Di Carlo A., Lugli P., Delley B., and Elstner M. Phys. Rev. B 68 (2003) 195309
20. Kahn A., Koch N., and Gao W. J. Polym. Sci. B: Polym. Phys. 41 (2003) 2529
21. Pogrebnaya T.P., and Becke A.D. Phys. Rev. A 38 (1988) 3098
22. Lee C., Yang W., and Parr R.G. Phys. Rev. B 37 (1988) 785
23. Vosko S.H., Wilk L., and Nusair M. Can. J. Phys. 58 (1980) 1200
24. Toyoshima S., Kuwabara K., Sakurai T., Taima T., Saito K., Kato H., and Akimoto K. Jpn. J. Appl. Phys. 46 (2007) 2692
25. Boys S.F., and Bernardi F. Mol. Phys. 19 (1970) 553