Metal–Oxygen Bond Ionicity as an Efficient Descriptor for Doped NiOOH Photocatalytic Activity

ChemPhysChem

Volumn 17, Issue 11, 2016, Pages 1630-1636

  Zaffran, Jeremie ^a   Toroker, Maytal Caspary ^a  

^a TECHNION ISRAEL INSTITUTE OF TECHNOLOGY   (Israel)

Author keywords

bond ionicity; computational chemistry; density functional calculations; doping; transition metals

Indexed keywords

EID: 84961727489     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.201600049     Document Type: Article

References (63)

1. N. S. Lewis, D. G. Nocera, Proc. Natl. Acad. Sci. USA 2006, 103, 15729–15735.
2. M. G. Walter, E. L. Warren, J. R. McKone, S. W. Boettcher, Q. Mi, E. A. Santori, N. S. Lewis, Chem. Rev. 2010, 110, 6446–6473.
3. L. Trotochaud, S. W. Boettcher, Scr. Mater. 2014, 74, 25–32.
4. Y.-F. Li, A. Selloni, ACS Catal. 2014, 4, 1148–1153;
5. P. Liao, J. A. Keith, E. A. Carter, J. Am. Chem. Soc. 2012, 134, 13296–13309.
6. F. Lin, S. W. Boettcher, Nat. Mater. 2014, 13, 81–86;
7. M. Gao, W. Sheng, Z. Zhuang, Q. Fang, S. Gu, J. Jiang, Y. Yan, J. Am. Chem. Soc. 2014, 136, 7077–7084;
8. E. Fabbri, A. Habereder, K. Waltar, R. Kötz, T. J. Schmidt, Catal. Sci. Technol. 2014, 4, 3800–3821.
9. M. E. G. Lyons, M. P. Brandon, Int. J. Electrochem. Sci. 2008, 3, 1386–1424;
10. P. W. T. Lu, S. Srinivasan, J. Electrochem. Soc. 1978, 125, 1416–1422.
11. J. Chen, A. Selloni, J. Phys. Chem. C 2013, 117, 20002–20006;
12. R. G. Delaplane, J. Chem. Phys. 1969, 50, 1920.
13. M. Casas-Cabanas, J. Canales-Vázquez, J. Rodríguez-Carvajal, M. R. Palacín, J. Am. Chem. Soc. 2007, 129, 5840–5842;
14. V. Y. Kazimirov, M. B. Smirnov, L. Bourgeois, L. Guerlou-Demourgues, L. Servant, A. M. Balagurov, I. Natkaniec, N. R. Khasanova, E. V. Antipov, Solid State Ionics 2010, 181, 1764–1770.
15. M. Chigane, M. Ishikawa, J. Chem. Soc. Faraday Trans. 1998, 94, 3665–3670.
16. Y. F. Li, A. Selloni, J. Phys. Chem. Lett. 2014, 5, 3981–3985.
17. A. J. Tkalych, K. Yu, E. A. Carter, J. Phys. Chem. C 2015, 119, 24315–24322.
18. O. Diaz-Morales, I. Ledezma-Yanez, M. T. M. Koper, F. Calle-Vallejo, ACS Catal. 2015, 5, 5380–5387.
19. R. Oesten, M. Wohlfahrt-Mehrens, S. Ströbele, M. Kasper, R. A. Huggins, Ionics 1996, 2, 293–301.
20. S. Klaus, Y. Cai, M. W. Louie, L. Trotochaud, A. T. Bell, J. Phys. Chem. C 2015, 119, 7243–7254;
21. M. W. Louie, A. T. Bell, J. Am. Chem. Soc. 2013, 135, 12329–12337.
22. D. Friebel, M. W. Louie, M. Bajdich, K. E. Sanwald, Y. Cai, A. M. Wise, M. J. Cheng, D. Sokaras, T. C. Weng, R. Alonso-Mori, R. C. Davis, J. R. Bargar, J. K. Norskov, A. Nilsson, A. T. Bell, J. Am. Chem. Soc. 2015, 137, 1305–1313.
23. M. G. Mavros, T. Tsuchimochi, T. Kowalczyk, A. McIsaac, L. P. Wang, T. V. Voorhis, Inorg. Chem. 2014, 53, 6386–6397.
24. J. K. Nørskov, T. Bligaard, J. Rossmeisl, C. H. Christensen, Nat. Chem. 2009, 1, 37–46.
25. R. A. van Santen, M. Neurock, S. G. Shetty, Chem. Rev. 2010, 110, 2005–2048.
26. J. Zaffran, C. Michel, F. Delbecq, P. Sautet, J. Phys. Chem. C 2015, 119, 12988–12998.
27. A. Vojvodic, F. Calle-Vallejo, W. Guo, S. Wang, A. Toftelund, F. Studt, J. I. Martinez, J. Shen, I. C. Man, J. Rossmeisl, T. Bligaard, J. K. Noorskov, F. Abild-Pedersen, J. Chem. Phys. 2011, 134, 244509.
28. A. J. Medford, A. Vojvodic, J. S. Hummelshøj, J. Voss, F. Abild-Pedersen, F. Studt, T. Bligaard, A. Nilsson, J. K. Nørskov, J. Catal. 2015, 328, 36–42.
29. J. Zaffran, C. Michel, F. Auneau, F. Delbecq, P. Sautet, ACS Catal. 2014, 4, 464–468.
30. M. Castellote, N. Bengtsson in Application of Titanium Dioxide Photocatalysis to Construction Materials (Eds.: Y. Ohama, D. Van Gemert), Springer, Dordrecht, 2011, pp. 5–10;
31. M. Mohamad, B. Ul Haq, R. Ahmed, A. Shaari, N. Ali, R. Hussain, Mater. Sci. Semicond. Process. 2015, 31, 405–414.
32. G. Kresse, J. Furthmüller, Comput. Mater. Sci. 1996, 6, 15–50;
33. G. Kresse, J. Hafner, Phys. Rev. B 1993, 47, 558–561;
34. G. Kresse, D. Joubert, Phys. Rev. B 1999, 59, 1758–1775.
35. J. P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 1996, 77, 3865–3868.
36. S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, A. P. Sutton, Phys. Rev. B 1998, 57, 1505–1509.
37. M. Cococcioni, S. de Gironcoli, Phys. Rev. B 2005, 71, 035105;
38. N. Alidoust, M. C. Toroker, J. A. Keith, E. A. Carter, ChemSusChem 2014, 7, 195–201.
39. C. Adamo, V. Barone, J. Chem. Phys. 1999, 110, 6158–6170.
40. J. Bao, Y. Zhu, Z. Zhang, Q. Xu, W. Zhao, J. Chen, W. Zhang, Q. Han, Mater. Res. Bull. 2013, 48, 422–428;
41. B. Hu, S. F. Chen, S. J. Liu, Q. S. Wu, W. T. Yao, S. H. Yu, Chemistry 2008, 14, 8928–8938;
42. C. Miao, Y. Zhu, L. Huang, T. Zhao, J. Power Sources 2015, 274, 186–193;
43. E. E. Sileo, M. Jobbágy, C. O. Paiva-Santos, A. E. Regazzoni, J. Phys. Chem. B 2005, 109, 10137–10141;
44. L. Trotochaud, T. J. Mills, S. W. Boettcher, J. Phys. Chem. Lett. 2013, 4, 931–935.
45. A. G. Marrani, V. Novelli, S. Sheehan, D. P. Dowling, D. Dini, ACS Appl. Mater. Interfaces 2014, 6, 143–152.
46. H. J. Monkhorst, J. D. Pack, Phys. Rev. B 1976, 13, 5188–5192.
47. G. Henkelman, A. Arnaldsson, H. Jónsson, Comput. Mater. Sci. 2006, 36, 354–360;
48. E. Sanville, S. D. Kenny, R. Smith, G. Henkelman, J. Comput. Chem. 2007, 28, 899–908;
49. W. Tang, E. Sanville, G. Henkelman, J. Phys. Condens. Matter 2009, 21, 084204.
50. B. Hammer, J. K. Nørskov, Surf. Sci. 1995, 343, 211–220.
51. A. Grimaud, K. J. May, C. E. Carlton, Y. L. Lee, M. Risch, W. T. Hong, J. Zhou, Y. Shao-Horn, Nat. Commun. 2013, 4, 2439.
52. J. Rossmeisl, Z. W. Qu, H. Zhu, G. J. Kroes, J. K. Nørskov, J. Electroanal. Chem. 2007, 607, 83–89;
53. A. Vojvodic, J. K. Nørskov, F. Abild-Pedersen, Top. Catal. 2014, 57, 25–32;
54. S. Herrmann, M. Stamatakis, A. N. Andriotis, G. Mpourmpakis, J. Comput. Theor. Nanosci. 2014, 11, 511–520.
55. B. G. Kim, H. J. Kim, S. Back, K. W. Nam, Y. Jung, Y. K. Han, J. W. Choi, Sci. Rep. 2014, 4, 4225.
56. J. Suntivich, K. J. May, H. A. Gasteiger, J. B. Goodenough, Y. Shao-Horn, Science 2011, 334, 1383–1385.
57. C. Zhang, S. Trudel, C. P. Berlinguette, Eur. J. Inorg. Chem. 2014, 2014, 660–664.
58. J. E. Huheey, Inorganic Chemistry, Harper & Row, New York, 1983.
59. X. Wang, P. J. Sebastian, A.-C. Millan, P. V. Parkhutik, S. A. Gamboa, J. New Mater. Electrochem. Syst. 2005, 8, 101–108;
60. S. Deabate, F. Fourgeot, F. Henn, Electrochim. Acta 2006, 51, 5430–5437.
61. A. J. Varkey, A. F. Fort, Thin Solid Films 1993, 235, 47–50;
62. M. K. Carpenter, D. A. Corrigan, J. Electrochem. Soc. 1989, 136, 1022–1026.
63. L. Zhao, Z.-h. Liu, L. Jin, Trans. Nonferrous Met. Soc. China 2013, 23, 1033–1038.