Band Edge Engineering in BiVO4/TiO2 Heterostructure: Enhanced Photoelectrochemical Performance through Improved Charge Transfer

ACS Catalysis

Volumn 6, Issue 8, 2016, Pages 5311-5318

  Singh, Aadesh P ^a   Kodan, Nisha ^a   Mehta, Bodh R ^a   Held, Alexander ^b,c   Mayrhofer, Leonhard ^b,c   Moseler, Michael ^b,c  

^a INDIAN INSTITUTE OF TECHNOLOGY DELHI   (India)

^b FRAUNHOFER INSTITUTE FOR MECHANICS OF MATERIALS IWM   (Germany)

^c UNIVERSITY OF FREIBURG   (Germany)

Author keywords

ab initio; band edge engineering; heterojunction; photoelectrochemical; water splitting

Indexed keywords

CALCULATIONS; CHARGE TRANSFER; ELECTROCHEMISTRY; ELECTRONIC STRUCTURE; TITANIUM DIOXIDE;

AB INITIO; BAND EDGE; ELECTRONIC STRUCTURE CALCULATIONS; PHOTOCURRENT DENSITY; PHOTOELECTROCHEMICAL PERFORMANCE; PHOTOELECTROCHEMICALS; PHOTOGENERATED ELECTRONS; WATER SPLITTING;

HETEROJUNCTIONS;

EID: 84981347192     PISSN: None     EISSN: 21555435     Source Type: Journal    
DOI: 10.1021/acscatal.6b00956     Document Type: Article

References (52)

1. Fujishima, A.; Honda, K. Nature 1972, 238, 37-38 10.1038/238037a0
2. Su, J.; Guo, L.; Bao, N.; Grimes, C. A. Nano Lett. 2011, 11, 1928-1933 10.1021/nl2000743
3. Hou, Y.; Zuo, F.; Dagg, A.; Feng, P. Nano Lett. 2012, 12, 6464-6473 10.1021/nl303961c
4. Mourad, D.; Richters, J.-P.; Gerard, L.; André, R.; Bleuse, J.; Mariette, H. Phys. Rev. B: Condens. Matter Mater. Phys. 2012, 86, 195308 10.1103/PhysRevB.86.195308
5. Wang, G.; Yang, X.; Qian, F.; Zhang, J. Z.; Li, Y. Nano Lett. 2010, 10, 1088-1092 10.1021/nl100250z
6. An, X.; Li, T.; Wen, B.; Tang, J.; Hu, Z.; Liu, L.-M.; Qu, J.; Huang, C. P.; Liu, H. Adv. Energy Mater. 2016, 6, 1502268 10.1002/aenm.201502268
7. Hong, S. J.; Lee, S.; Jang, J. S.; Lee, J. S. Energy Environ. Sci. 2011, 4, 1781-1787 10.1039/c0ee00743a
8. Chatchai, P.; Kishioka, S.; Murakami, Y.; Nosaka, A. Y.; Nosaka, Y. Electrochim. Acta 2010, 55, 592-596 10.1016/j.electacta.2009.09.032
9. McDowell, M. T.; Lichterman, M. F.; Spurgeon, J. M.; Hu, S.; Sharp, I. D.; Brunschwig, B. S.; Lewis, N. S. J. Phys. Chem. C 2014, 118, 19618-19624 10.1021/jp506133y
10. Zhang, L.; Tan, G.; Wei, S.; Ren, H.; Xia, A.; Luo, Y. Ceram. Int. 2013, 39, 8597-8604 10.1016/j.ceramint.2013.03.106
11. Chen, X.; Liu, L.; Yu, P. Y.; Mao, S. S. Science 2011, 331, 746-750 10.1126/science.1200448
12. Chen, X.; Liu, L.; Liu, Z.; Marcus, M. A.; Wang, W.-C.; Oyler, N. A.; Grass, M. E.; Mao, B.; Glans, P.-A.; Yu, P. Y.; Guo, J.; Mao, S. S. Sci. Rep. 2013, 3, 1510 10.1038/srep01510
13. Liu, L.; Yu, P. Y.; Chen, X.; Mao, S. S.; Shen, D. Z. Phys. Rev. Lett. 2013, 111, 065505 10.1103/PhysRevLett.111.065505
14. Lu, J.; Dai, Y.; Jin, H.; Huang, B. Phys. Chem. Chem. Phys. 2011, 13, 18063-18068 10.1039/c1cp22726b
15. Mehta, M.; Kodan, N.; Kumar, S.; Kaushal, A.; Mayrhofer, L.; Walter, M.; Moseler, M.; Dey, A.; Krishnamurthy, S.; Basu, S.; Singh, A. P. J. Mater. Chem. A 2016, 4, 2670-2681 10.1039/C5TA07133J
16. Singh, A. P.; Kodan, N.; Mehta, B. R. Appl. Surf. Sci. 2016, 372, 63-69 10.1016/j.apsusc.2016.03.072
17. Mali, M. G.; Yoon, H.; Kim, M.; Swihart, M. T.; Al-Deyab, S. S.; Yoon, S. S. Appl. Phys. Lett. 2015, 106, 151603-5 10.1063/1.4918583
18. Pihosh, Y.; Turkevych, I.; Mawatari, K.; Asai, T.; Hisatomi, T.; Uemura, J.; Tosa, M.; Shimamura, K.; Kubota, J.; Domen, K.; Kitamori, T. Small 2014, 10, 3692-3699 10.1002/smll.201400276
19. Blöchl, P. E. Phys. Rev. B: Condens. Matter Mater. Phys. 1994, 50, 17953-17979 10.1103/PhysRevB.50.17953
20. Kresse, G.; Joubert, D. Phys. Rev. B: Condens. Matter Mater. Phys. 1999, 59, 1758-1775 10.1103/PhysRevB.59.1758
21. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865-3868 10.1103/PhysRevLett.77.3865
22. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1997, 78, 1396-1396 10.1103/PhysRevLett.78.1396
23. Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.; Humphreys, C. J.; Sutton, A. P. Phys. Rev. B: Condens. Matter Mater. Phys. 1998, 57, 1505-1509 10.1103/PhysRevB.57.1505
24. Park, H. S.; Kweon, K. E.; Ye, H.; Paek, E.; Hwang, G. S.; Bard, A. J. J. Phys. Chem. C 2011, 115, 17870-17879 10.1021/jp204492r
25. Hu, Z.; Metiu, H. J. Phys. Chem. C 2011, 115, 5841-5845 10.1021/jp111350u
26. Finazzi, E.; Di Valentin, C.; Pacchioni, G.; Selloni, A. J. Chem. Phys. 2008, 129, 154113-154113 10.1063/1.2996362
27. Monkhorst, H. J.; Pack, J. D. Phys. Rev. B 1976, 13, 5188-5192 10.1103/PhysRevB.13.5188
28. Bahn, S. R.; Jacobsen, K. W. Comput. Sci. Eng. 2002, 4, 56-66 10.1109/5992.998641
29. Mönch, W. Electronic Properties of Semiconductor Interfaces; Ertl, G.; Lüth, H.; Mills, D. L., Eds.; Springer-Verlag: Berlin and Heidelberg, 2004.
30. Mönch, W. Semiconductor Surfaces and Interfaces; Ertl, G.; Gomer, R.; Lüth, H., Eds.; Springer-Verlag: Berlin, 2001.
31. Zhao, Z.; Li, Z.; Zou, Z. Phys. Chem. Chem. Phys. 2011, 13, 4746-4753 10.1039/c0cp01871f
32. Burdett, J. K.; Hughbanks, T.; Miller, G. J.; Richardson, J. W.; Smith, J. V. J. Am. Chem. Soc. 1987, 109, 3639-3646 10.1021/ja00246a021
33. Schleife, A.; Fuchs, F.; Rödl, C.; Furthmüller, J.; Bechstedt, F. Appl. Phys. Lett. 2009, 94, 012104-3 10.1063/1.3059569
34. Kresse, G.; Hafner, J. Phys. Rev. B: Condens. Matter Mater. Phys. 1993, 47, 558-561 10.1103/PhysRevB.47.558
35. Kresse, G.; Hafner, J. Phys. Rev. B: Condens. Matter Mater. Phys. 1994, 49, 14251-14269 10.1103/PhysRevB.49.14251
36. Kresse, G.; Furthmüller, J. Comput. Mater. Sci. 1996, 6, 15-50 10.1016/0927-0256(96)00008-0
37. Kresse, G.; Furthmüller, J. Phys. Rev. B: Condens. Matter Mater. Phys. 1996, 54, 11169-11186 10.1103/PhysRevB.54.11169
38. Payne, D. J.; Robinson, M. D. M.; Egdell, R. G.; Walsh, A.; McNulty, J.; Smith, K. E.; Piper, L. F. J. Appl. Phys. Lett. 2011, 98, 212110-3 10.1063/1.3593012
39. Wadnerkar, N.; English, N. J. Comput. Mater. Sci. 2013, 74, 33-39 10.1016/j.commatsci.2013.03.015
40. Diebold, U. Surf. Sci. Rep. 2003, 48, 53-229 10.1016/S0167-5729(02)00100-0
41. Tersoff, J. Phys. Rev. B: Condens. Matter Mater. Phys. 1984, 30, 4874-4877 10.1103/PhysRevB.30.4874
42. Chen, X.; Liu, L.; Huang, F. Chem. Soc. Rev. 2015, 44, 1861-1885 10.1039/C4CS00330F
43. Naldoni, A.; Allieta, M.; Santangelo, S.; Marelli, M.; Fabbri, F.; Cappelli, S.; Bianchi, C. L.; Psaro, R.; Santo, V. D. J. Am. Chem. Soc. 2012, 134, 7600-7603 10.1021/ja3012676
44. Krukau, A. V.; Vydrov, O. A.; Izmaylov, A. F.; Scuseria, G. E. J. Chem. Phys. 2006, 125, 224106-5 10.1063/1.2404663
45. Ho-Kimura, S.; Moniz, S. J. A.; Handoko, A. D.; Tang, J. J. Mater. Chem. A 2014, 2, 3948-3953 10.1039/c3ta15268e
46. Obregón, S.; Colón, G. RSC Adv. 2014, 4, 6920-6926 10.1039/c3ra46603e
47. Singh, A. P.; Kodan, N.; Dey, A.; Krishnamurthy, S.; Mehta, B. R. Int. J. Hydrogen Energy 2015, 40, 4311-4319 10.1016/j.ijhydene.2015.01.085
48. Kim, T. W.; Choi, K.-S. Science 2014, 343, 990-994 10.1126/science.1246913
49. Wang, G.; Wang, H.; Ling, Y.; Tang, Y.; Yang, X.; Fitzmorris, R. C.; Wang, C.; Zhang, J. Z.; Li, Y. Nano Lett. 2011, 11, 3026-3033 10.1021/nl201766h
50. Yang, X.; Wolcott, A.; Wang, G.; Sobo, A.; Fitzmorris, R. C.; Qian, F.; Zhang, J. Z.; Li, Y. Nano Lett. 2009, 9, 2331-2336 10.1021/nl900772q
51. Lee, P. A.; Ramakrishnan, T. V. Rev. Mod. Phys. 1985, 57, 287-337 10.1103/RevModPhys.57.287
52. Momma, K.; Izumi, F. J. Appl. Crystallogr. 2011, 44, 1272-1276 10.1107/S0021889811038970