Electron dynamics in charged wet TiO2 anatase (001) surface functionalised by ruthenium ions

Molecular Physics

Volumn 112, Issue 3-4, 2014, Pages 441-452

  Zhang, Yuchi ^a   Qiu, Chao ^a   Kilin, Dmitri S ^a  

^a University of South Dakota   (United States)

Author keywords

Charged surface; Electron dynamics; Hot carrier relaxation; Photoelectrochemistry; Ruthenium doped

Indexed keywords

COMPUTATION THEORY; DEGREES OF FREEDOM (MECHANICS); DYNAMICS; ELECTRONS; EQUATIONS OF MOTION; LIGHT ABSORPTION; MATRIX ALGEBRA; MOLECULAR DYNAMICS; OPTICAL PROPERTIES; RUTHENIUM; TEMPERATURE;

CHARGED SURFACES; ELECTRON DYNAMICS; HOT-CARRIER RELAXATION; PHOTO-ELECTROCHEMISTRY; RUTHENIUM DOPED;

TITANIUM DIOXIDE;

EID: 84893819429     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2013.836609     Document Type: Conference Paper

References (48)

1. A. Fujishima, X. Zhang, and D.A. Tryk, Surf. Sci. Rep. 63, 515 (2008);
2. G. Liao, S. Chen, X. Quan, H. Chen, and Y. Zhang, Environ. Sci. Technol. 44, 3481 (2010).
3. T. Paul, P.L. Miller, and T.J. Strathmann, Environ. Sci. Technol. 41, 4720 (2007).
4. Z. Bian, T. Tachikawa, and T. Majima, J. Phys. Chem. Lett. 3, 1422 (2012).
5. R. Katoh, A. Furube, and K.-I. Yamanaka, J. Phys. Chem. Lett. 1, 3261 (2010).
6. Y. Cao, T. He, Y. Chen, and Y. Cao, J. Phys. Chem. C 114, 3627 (2010).
7. M. Kong, Y. Li, X. Chen, T. Tian, P. Fang, F. Zheng, and X. Zhao, J. Am. Chem. Soc. 133, 16414 (2011).
8. W. Guo, C. Xu, X. Wang, S. Wang, C. Pan, C. Lin, and Z.L. Wang, J. Am. Chem. Soc. 134, 4437 (2012).
9. M.M. Maitani, K. Tanaka, D. Mochizuki, and Y. Wada, J. Phys. Chem. Lett. 2, 2655 (2011).
10. G. Dai, J. Yu, andG. Liu, J. Phys. Chem. C 115, 7339 (2011).
11. H. Fei, Y. Yang, D.L. Rogow, X. Fan, and S.R.J. Oliver, ACS Appl. Mater. Interfaces 2, 974 (2010).
12. S. Liang, J. He, Z. Sun, Q. Liu, Y. Jiang, H. Cheng, B. He, Z. Xie, and S. Wei, J. Phys. Chem. C 116, 9049 (2012).
13. A. Galińska and J. Walendziewski, Energy Fuels 19, 1143 (2005).
14. T.M. Inerbaev, J.D. Hoefelmeyer, and D.S. Kilin, J. Phys. Chem. C 117, 9673 (2013).
15. M.K. Nazeeruddin, A. Kay, I. Rodicio, R. Humphry-Baker, E. Mueller, P. Liska, N. Vlachopoulos, and M. Graetzel, J. Am. Chem. Soc. 115, 6382 (1993).
16. S.K. Choi, S. Kim, S.K. Lim, andH. Park, J. Phys. Chem. C 114, 16475 (2010).
17. X.-Q. Gong, A. Selloni, and A. Vittadini, J. Phys. Chem. B 110, 2804 (2006).
18. M.A. Henderson, Surf. Sci. Rep. 66, 185 (2011).
19. Y. Liang, S. Gan, S.A. Chambers, and E.I. Altman, Phys. Rev. B 63, 235402 (2001).
20. A. Fujishima and K. Honda, Nature 238, 37 (1972).
21. X. Zhang, G. Smolentsev, J. Guo, K. Attenkofer, C. Kurtz, G. Jennings, J.V. Lockard, A.B. Stickrath, and L.X. Chen, J. Phys. Chem. Lett. 2, 628 (2011).
22. Y. Zhang and D.S. Kilin, Int. J. Quantum Chem. 112, 3867 (2012).
23. G. Kresse and J. Furthmüller,Phys. Rev. B 54, 11169 (1996).
24. J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
25. J. Heyd, G.E. Scuseria, and M. Ernzerhof, J. Chem. Phys. 124 (2006).
26. S. Alavi, Angew. Chem. Int. Ed. 48, 9404 (2009);
27. D. Marx and J. Hutter, Ab Initio Molecular Dynamics: Basic Theory and Advanced Methods (Cambridge University Press, New York, 2009).
28. A.V. Akimov, J.T. Muckerman, and O.V. Prezhdo, J. Am. Chem. Soc. 135, 8682 (2013).
29. A.G. Redfield, IBM J. Res. Dev. 1, 19 (1957);
30. D. Egorova, M.F. Gelin, M. Thoss, H. Wang, and W. Domcke, J. Chem. Phys. 129, 214303 (2008).
31. D.S. Kilin and D.A. Micha, J. Phys. Chem. Lett. 1, 1073 (2010);
32. D.S. Kilin, K.L. Tsemekhman, O.V. Prezhdo, E.I. Zenkevich, and C. von Borczyskowski, J. Photochem. Photobiol. A 190, 342 (2007).
33. J. Chen, A. Schmitz, and D.S. Kilin, Int. J. Quantum Chem. 112, 3879 (2012);
34. J. Chen, A. Schmitz, T. Inerbaev,Q. Meng, S. Kilina, S. Tretiak, andD. Kilin, J. Phys. Chem. Lett. 4 (17), 2906-2913 (2010);
35. I.-H. Chu, D.S. Kilin, and H.-P. Cheng, J. Phys. Chem. C 117 (35), 17909-17918 (2013).
36. S. Jensen and D.S. Kilin, Int. J. Quantum Chem. 112, 3874 (2012);
37. S. Jensen and D. Kilin, in ACS Symposium Series (American Chemical Society, Washington, DC, 2013), pp. 187-218.
38. M. Bruno, M. Palummo, and A. Marini, Phys. Rev. Lett. 98, 036807 (2007).
39. L. Chiodo, J.M. García-Lastra, A. Iacomino, S. Ossicini, J. Zhao, H. Petek, and A. Rubio, Phys. Rev. B 82, 045207 (2010).
40. Y. Zhang, http://youtu.be/BaRaRSYmX0Q. 2013; http:// youtu.be/ U4v1Y0K2Ekc.
41. A.V. Akimov, A.J. Neukirch, and O.V. Prezhdo, Chem. Rev. 113, 4496 (2013);
42. V.N. Gorshkov, S. Tretiak, and D. Mozyrsky, Nat. Commun. 4, 2144 (2013).
43. E. Abad, J.P. Lewis, V. Zobac, P. Hapala, P. Jelinek, and J. Ortega, J. Chem. Phys. 138, 154106 (2013).
44. Q. Meng, P.S. May, M.T. Berry, and D.S. Kilin, Int. J. Quantum Chem. 112, 3896 (2012).
45. M. Osada, O. Sato, K. Arai, and M. Shirai, Energy Fuels 20, 2337 (2006);
46. R. Nakamura and Y. Nakato, J. Am. Chem. Soc. 126 (4), 1290-1298 (2004).
47. V. May and O. Kühn, Charge and Energy Transfer Dynamics in Molecular Systems (Wiley-VCH, Weinhem, 2004);
48. L.G.C. Rego and V.S. Batista, J. Am. Chem. Soc. 125, 7989 (2003).