Level alignment of a prototypical photocatalytic system: Methanol on TiO2(110)

Journal of the American Chemical Society

Volumn 135, Issue 31, 2013, Pages 11429-11432

  Migani, Annapaola ^a,b   Mowbray, Duncan J ^a   Iacomino, Amilcare ^a   Zhao, Jin ^c   Petek, Hrvoje ^d   Rubio, Angel ^a  

^a UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^b CSIC   (Spain)

^c UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

^d UNIVERSITY OF PITTSBURGH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC SCREENING; HIGHEST OCCUPIED MOLECULAR ORBITAL; METHANOL MOLECULES; OPTIMAL ALIGNMENTS; PHOTOCATALYTIC ACTIVITIES; PHOTOCATALYTIC SYSTEMS; SEMIQUANTITATIVE MODEL; VALENCE-BAND MAXIMUMS;

MOLECULES; OXIDE MINERALS; PHOTOELECTRON SPECTROSCOPY; TITANIUM DIOXIDE;

METHANOL;

METHANOL; TITANIUM DIOXIDE;

ARTICLE; ELECTRONICS; ENERGY; MOLECULE; PHOTOCATALYSIS; SEMICONDUCTOR; SPECTROSCOPY; TWO PHOTON PHOTOEMISSION SPECTROSCOPY; ULTRAVIOLET SPECTROSCOPY;

EID: 84881221052     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja4036994     Document Type: Article

References (28)

1. Neaton, J. B.; Hybertsen, M. S.; Louie, S. G. Phys. Rev. Lett. 2006, 97 216405
2. Garcia-Lastra, J. M.; Rostgaard, C.; Rubio, A.; Thygesen, K. S. Phys. Rev. B 2009, 80 245427
3. Onishi, H.; Aruga, T.; Egawa, C.; Iwasawa, Y. Surf. Sci. 1988, 193, 33
4. Yuan, Q.; Wu, Z.; Jin, Y.; Xu, L.; Xiong, F.; Ma, Y.; Huang, W. J. Am. Chem. Soc. 2013, 135, 5212
5. Li, B.; Zhao, J.; Onda, K.; Jordan, K. D.; Yang, J.; Petek, H. Science 2006, 311, 1436
6. Zhou, C.; Ren, Z.; Tan, S.; Ma, Z.; Mao, X.; Dai, D.; Fan, H.; Yang, X.; LaRue, J.; Cooper, R.; Wodtke, A. M.; Wang, Z.; Li, Z.; Wang, B.; Yang, J.; Hou, J. Chem. Sci. 2010, 1, 575
7. Henderson, M. A.; Lyubinetsky, I. Chem. Rev. 2013, 113, 4428
8. Shen, M.; Acharya, D. P.; Dohnálek, Z.; Henderson, M. A. J. Phys. Chem. C 2012, 116, 25465
9. Shen, M.; Henderson, M. A. J. Phys. Chem. Lett. 2011, 2, 2707
10. Phillips, K. R.; Jensen, S. C.; Baron, M.; Li, S.-C.; Friend, C. M. J. Am. Chem. Soc. 2013, 135, 574
11. Guo, Q.; Xu, C.; Ren, Z.; Yang, W.; Ma, Z.; Dai, D.; Fan, H.; Minton, T. K.; Yang, X. J. Am. Chem. Soc. 2012, 134, 13366
12. Onda, K.; Li, B.; Zhao, J.; Jordan, K. D.; Yang, J.; Petek, H. Science 2005, 308, 1154
13. Onida, G.; Reining, L.; Rubio, A. Rev. Mod. Phys. 2002, 74, 601
14. Ping, Y.; Rocca, D.; Galli, G. Chem. Soc. Rev. 2013, 42, 2437
15. Patrick, C. E.; Giustino, F. Phys. Rev. Lett. 2012, 109 116801
16. Shishkin, M.; Kresse, G. Phys. Rev. B 2006, 74 035101
17. Shishkin, M.; Kresse, G. Phys. Rev. B 2007, 75 235102
18. Shishkin, M.; Marsman, M.; Kresse, G. Phys. Rev. Lett. 2007, 99 246403
19. Caruso, F.; Rinke, P.; Ren, X.; Scheffler, M.; Rubio, A. Phys. Rev. B 2012, 86 081102
20. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865
21. Heyd, J.; Scuseria, G. E.; Ernzerhof, M. J. Chem. Phys. 2003, 118, 8207
22. Onda, K.; Li, B.; Zhao, J.; Petek, H. Surf. Sci. 2005, 593, 32
23. Zhao, J.; Yang, J.; Petek, H. Phys. Rev. B 2009, 80 235416
24. Akimov, A. V.; Muckerman, J. T.; Prezhdo, O. V. J. Am. Chem. Soc. 2013, 135, 8682
25. Rohlfing, M.; Wang, N.-P.; Krüger, P.; Pollmann, J. Phys. Rev. Lett. 2003, 91 256802
26. Freysoldt, C.; Rinke, P.; Scheffler, M. Phys. Rev. Lett. 2009, 103 056803
27. Mowbray, D. J.; Martínez, J. I.; Calle-Vallejo, F.; Rossmeisl, J.; Thygesen, K. S.; Jacobsen, K. W.; Nørskov, J. K. J. Phys. Chem. C 2011, 115, 2244
28. Li, S.-C.; Wang, J.-g.; Jacobson, P.; Gong, X.-Q.; Selloni, A.; Diebold, U. J. Am. Chem. Soc. 2009, 131, 980