Density functional study of the interfacial electron transfer pathway for monolayer-adsorbed InN on the TiO2 anatase (101) surface

Journal of Physical Chemistry B

Volumn 110, Issue 46, 2006, Pages 23460-23466

  Lin, Jyh Shing ^a   Chou, Wen Chi ^a   Lu, Shao Yu ^a   Jang, Geng Jya ^a   Tseng, Bo Rong ^a   Li, Yung Ting ^a  

^a TAMKANG UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; ELECTRONIC PROPERTIES; INDIUM COMPOUNDS; MONOLAYERS; POLARIZATION; PROBABILITY DENSITY FUNCTION; TITANIUM OXIDES;

ELECTRON INJECTION; GENERALIZED GRADIENT SPIN-POLARIZED APPROXIMATIONS (GGSA); PARTIAL DENSITY OF STATES (PDOS); PHOTOEXCITATION; ULTRASOFT PSEUDOPOTENTIAL (USP);

SURFACE CHEMISTRY;

EID: 33846068618     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp061975u     Document Type: Article

References (22)

1. O'Regan, B.; Gratzel, M. Nature (Lodon) 1991, 353, 737.
2. Nazeeruddin, M.-K.; Kay, A.; Rodicio, I.; Humphry-Backer, R.; Muller, E.; Liska, P.; Vlachopoulos, N.; Graetzel, M. J. Am. Chem. Soc. 1993, 115, 6382.
3. Hagfeldt, A.; Gratzel, M. Chem. Rev. 1995, 95, 49.
4. Graetzel, M. Acc. Chem. Res. 2000, 33, 269.
5. O'Regan, B.; Graetzel, M. Nature (London) 2001, 414, 338.
6. Liu, G.; Jaegermann, W.; He, J.; Sundstrom, V.; Sun, L. J. Phys. Chem. B 2002, 106, 5814.
7. Huisman, C. L.; Goossen, A.; Schoonman, J. Chem. Mater. 2003, 15, 4617.
8. Li, D.; Gu, C.; Guo, C.; Hu, C. Chem. Phys. Lett. 2004, 385, 55.
9. Blackburn, J. L.; Slimarten, D. C.; Nozik, A. J. J. Phys. Chem. B 2003, 107, 14154.
10. Zaban, A.; Micic, O. I.; Gregg, B. A.; Nozik, A. J. Langmuir 1998, 14, 3153.
11. Vogel, R.; Hoyer, P.; Weller, H. J. Phys. Chem. 1994, 98, 3183.
12. Vogel, R.; Klaus, P.; Weller, H. Chem. Phys. Lett. 1990, 174, 241.
13. Wang, J.-H.; Lin, M. C. ChemPhysChem 2004, 5, 1615.
14. Wang, J.-H.; Lin, M. C. J. Phys. Chem., in press.
15. Lin, J. S.; Lee, L.-F. Int. J. Quantum Chem. 2004, 97, 736.
16. Lin, J. S.; Chou, W.-C. J. Mol. Struct. THEOCHEM 2003, 635, 115.
17. Kresse, G.; Furthmuller, J. Comput. Mater. Sci. 1996, 6, 15.
18. Perdew, J.; Wang, Y. Phys. Rev. B 1992, 45, 13244.
19. Vanderbilt, D. Phys. Rev. B 1990, 41, 7892.
20. Kleinman, L.; Bylander, D. M. Phys. Rev. Lett. 1982, 48, 1425.
21. Monkhorst, H. J.; Pack, J. D. Phys. Rev. B 1976, 13, 5188.
22. Segall, M. D.; Lindan, P. L. D.; Probert, M. J.; Pickard, C. J.; Hasnip, P. J.; Clark, S. J.; Payne, M. C. J. Phys.: Condens. Matter 2002, 14, 2717.