Molecular quantum chemical calculations of the formation of interfaces between Al, Ca and Mg with poly(phenylene vinylene) oligomers

Journal of Physics D: Applied Physics

Volumn 30, Issue 10, 1997, Pages 1421-1426

  Choong, V E ^a   Park, Y ^a   Hsieh, B R ^b   Gao, Y ^a  

^a UNIVERSITY OF ROCHESTER   (United States)

^b XEROX CORPORATION   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM; CALCIUM; CARRIER CONCENTRATION; COMPUTER SIMULATION; CONFORMATIONS; ELECTRONS; ENERGY GAP; MAGNESIUM; MATHEMATICAL MODELS; OLIGOMERS; X RAY PHOTOELECTRON SPECTROSCOPY;

GAP STATE FORMATION; HIGHEST OCCUPIED MOLECULAR ORBITAL; INTERFACE FORMATION; LOWEST UNOCCUPIED MOLECULAR ORBITAL; MOLECULAR QUANTUM CHEMICAL CALCULATION; POLYPHENYLENE VINYLENE;

CALCULATIONS;

EID: 0031146210     PISSN: 00223727     EISSN: None     Source Type: Journal    
DOI: 10.1088/0022-3727/30/10/005     Document Type: Article

References (21)

1. Burroughes J H, Bradley D D C, Brown A R, Marks R N, MaKay K, Friend R H, Burn P L and Holmes AB 1990 Nature 347 539
2. Burn P L, Holmes A B, Kraft A, Bradley D D C, Brown A R, Friend R H and Gymer R W 1992 Nature 356 47
3. Braun D and Heeger A J 1991 Appl. Phys. Lett. 58 1982
4. Braun D, Heeger A J and Kroemer H 1991 J. Electron. Mater. 20 945
5. Parker I D 1994 J. Appl. Phys. 75 1656
6. Heeger A J, Parker I D and Yang Y 1994 Synth. Met. 67 23
7. Gao Y, Park K T and Hsieh B R 1992 J. Chem. Phys. 97 6991
8. Ettedgui E, Park K T, Gao Y and Hsieh B R 1994 J. Appl. Phys. 75 7526
9. Hsieh B R, Ettedgui E, Park K T and Gao Y 1994 Mol. Cryst. Liq. Cryst. 256 71
10. Ettedgui E, Razafitrimo H, Park K T, Gao Y and Hsieh BR 1995 Surf. Interface Anal. 23 89
11. Ettedgui E, Razafitrimo H, Gao Y and Hsieh B R 1995 Appl. Phys. Lett. 67 2705
12. Ettedgui E, Razafitrimo H, Gao Y, Hsieh B R, Feld W A and Ruckman MW 1996 Phys. Rev. Lett. 76 299
13. Brazovskii S A and Kirova N N 1992 Mol. Cryst. Liq. Cryst. 216 151
14. Davids P S, Saxena A and Smith D L J. Appl. Phys 78 4244
15. Bredas J L and Salaneck WR 1997 Organic Electroluminescence ed D D C Bradley and T Tsutsui (London: Cambridge University Press) to be published
16. Woo H S, Lee J G, Min H K, Oh E J, Park S J, Lee K W, Lee J H, Cho S H, Kim T W and Park CH 1995 Synth. Met. 71 2173
17. Spartan User Manual, Wavefunction Inc
18. Fredriksson C, Lazzaroni R, Bredas J L, Dannetun P, Logdlund M and Salaneck WR 1993 Synth. Met. 55-57 14623
19. Mao G, Fischer J E, Karasz F E and Winokur M J 1993 J. Chem. Phys. 98 712
20. Greenham N C, Friend R H, Brown A R, Bradley D D C, Pichler K, Burn P L, Kraft A and Holmes A B 1994 Proc. SPIE 1910 84
21. Fahlman M, Birgersson J, Kaeriyama K and Salaneck W R 1996 Synth. Met. 75 225