Electronic and photocatalytic properties of Ag3PC 4VI (C = O, S, Se): A systemic hybrid DFT study

Journal of Physical Chemistry C

Volumn 116, Issue 47, 2012, Pages 25074-25080

  Ma, Zuju ^a,b   Yi, Zhiguo ^a   Sun, Jing ^a   Wu, Kechen ^a  

^a FUJIAN INSTITUTE OF RESEARCH ON THE STRUCTURE OF MATTER   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CONDUCTION-BAND MINIMUM; DENSITY OF STATE; DIRECT BAND GAP; HYBRID DENSITY FUNCTIONAL METHOD; HYBRID DFT; LARGE PARTS; NORMAL HYDROGEN ELECTRODES; ORBITALS; PHOTOCATALYTIC HYDROGEN; PHOTOCATALYTIC PROPERTY; PHOTOCORROSION; PHOTOELECTRODE; POTENTIAL PROBLEMS; REDUCTION POTENTIAL; SOLAR LIGHT; SOLAR SPECTRUM; STRONG-MIXING; THEORETICAL RESULT; VISIBLE LIGHT; VISIBLE RANGE; WATER OXIDATION; WATER REDUCTION; WATER SPLITTING;

DENSITY FUNCTIONAL THEORY; ENERGY GAP; HYDROGEN; HYDROGEN PRODUCTION; PHOTOCATALYSIS; QUANTUM YIELD;

SILVER;

EID: 84870407384     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp3093447     Document Type: Article

References (62)

1. Turner, J. A. Science 1999, 285, 687
2. Gratzel, M. Nature 2001, 414, 338
3. Fujishima, A.; Honda, K. Nature 1972, 238, 37
4. Nisar, J.; Pathak, B.; Ahuja, R. Appl. Phys. Lett. 2012, 100, 181903
5. Chen, X.; Shen, S.; Guo, L.; Mao, S. S. Chem. Rev. 2010, 110, 6503
6. Khan, S. U. M.; Al-Shahry, M.; Ingler, W. B. Science 2002, 297, 2243
7. Kato, H.; Asakura, K.; Kudo, A. J. Am. Chem. Soc. 2003, 125, 3082
8. Kudo, A.; Kato, H.; Nakagawa, S. J. Phys. Chem. B 2000, 104, 571
9. Kim, H. G.; Hwang, D. W.; Bae, S. W.; Jung, J. H.; Lee, J. S. Catal. Lett. 2003, 91, 193
10. Jing, D.; Liu, M.; Chen, Q.; Guo, L. Int. J. Hydrogen Energy 2010, 35, 8521
11. Matsumura, M.; Saho, Y.; Tsubomura, H. J. Phys. Chem. 1983, 87, 3807
12. Yan, H.; Yang, J.; Ma, G.; Wu, G.; Zong, X.; Lei, Z.; Shi, J.; Li, C. J. Catal. 2009, 266, 165
13. Cao, F.; Shi, W.; Zhao, L.; Song, S.; Yang, J.; Lei, Y.; Zhang, H. J. Phys. Chem. C 2008, 112, 17095
14. Wu, X.; Yu, Y. F.; Liu, Y.; Xu, Y.; Liu, C. B.; Zhang, B. Angew. Chem., Int. Ed. 2012, 51, 3211
15. Shangguan, W.; Yoshida, A. J. Phys. Chem. B 2002, 106, 12227
16. Shen, S.; Guo, L. Mater. Res. Bull. 2008, 43, 437
17. Zhang, H.; Zhu, Y. J. Phys. Chem. C 2010, 114, 5822
18. Zhang, K.; Jing, D.; Xing, C.; Guo, L. Int. J. Hydrogen Energy 2007, 32, 4685
19. Shen, S.; Zhao, L.; Guo, L. Mater. Res. Bull. 2009, 44, 100
20. Kaga, H.; Saito, K.; Kudo, A. Chem. Commun. 2010, 46, 3779
21. Shen, S.; Zhao, L.; Zhou, Z.; Guo, L. J. Phys. Chem. C 2008, 112, 16148
22. Yi, Z. G.; Ye, J. H.; Kikugawa, N.; Kako, T.; Ouyang, S. X.; Stuart-Williams, H.; Yang, H.; Cao, J. Y.; Luo, W. J.; Li, Z. S.; Liu, Y.; Withers, R. L. Nat. Mater. 2010, 9, 559
23. Cao, J.; Luo, B.; Lin, H.; Xu, B.; Chen, S. J. Hazard. Mater. 2012, 217, 107
24. Liu, Y.; Fang, L.; Lu, H.; Li, Y.; Hu, C.; Yu, H. Appl. Catal., B 2012, 115, 245
25. Liu, Y.; Fang, L.; Lu, H.; Liu, L.; Wang, H.; Hu, C. Catal. Commun. 2012, 17, 200
26. Li, G.; Mao, L. Rsc Advances 2012, 2, 5108
27. Rawal, S. B.; Sung, S. D.; Lee, W. I. Catal. Commun. 2012, 17, 131
28. Zhang, L.; Zhang, H.; Huang, H.; Liu, Y.; Kang, Z. New J. Chem. 2012, 36, 1541
29. Bi, Y.; Hu, H.; Ouyang, S.; Jiao, Z.; Lu, G.; Ye, J. J. Mater. Chem. 2012, 22, 14847
30. Ma, X. G.; Lu, B.; Li, D.; Shi, R.; Pan, C. S.; Zhu, Y. F. J. Phys. Chem. C 2011, 115, 4680
31. Liu, J. J.; Fu, X. L.; Chen, S. F.; Zhu, Y. F. Appl. Phys. Lett. 2011, 99, 191903
32. Foster, D. H.; Jieratum, V.; Kykyneshi, R.; Keszler, D. A.; Schneider, G. Appl. Phys. Lett. 2011, 99, 181903
33. Katagiri, H. Thin Solid Films 2005, 480, 426
34. Panthani, M. G.; Akhavan, V.; Goodfellow, B.; Schmidtke, J. P.; Dunn, L.; Dodabalapur, A.; Barbara, P. F.; Korgel, B. A. J. Am. Chem. Soc. 2008, 130, 16770
35. Andrae, H.; Blachnik, R. J. Therm. Anal. 1989, 35, 595
36. Andrae, H.; Blachnik, R. J. Alloys Compd. 1992, 189, 209
37. Jorgens, S.; Mewis, A. Solid State Sci. 2007, 9, 213
38. Ma, H. W.; Guo, G. C.; Chen, W. T.; Deng, L.; Zhou, G. W.; Dong, Z. C.; Huang, J. S. Chin. J. Struct. Chem. 2003, 22, 161
39. Lany, S.; Zunger, A. Phys. Rev. B 2008, 78, 235104
40. Walsh, A.; Yan, Y.; Huda, M. N.; Al-Jassim, M. M.; Wei, S.-H. Chem. Mater. 2009, 21, 547
41. Umezawa, N.; Shuxin, O. Y.; Ye, J. H. Phys. Rev. B 2011, 83, 035202
42. Segall, M. D.; Lindan, P. J. D.; Probert, M. J.; Pickard, C. J.; Hasnip, P. J.; Clark, S. J.; Payne, M. C. J. Phys.: Condens. Matter 2002, 14, 2717
43. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865
44. Ceperley, D. M.; Alder, B. J. Phys. Rev. Lett. 1980, 45, 566
45. Perdew, J. P.; Zunger, A. Phys. Rev. B 1981, 23, 5048
46. Wyckoff, R. W. G. Z. Kristallograph. 1925, 62, 529
47. Chen, S. Y.; Gong, X. G.; Wei, S. H. Phys. Rev. B 2007, 75, 205209
48. Kurita, D.; Ohta, S.; Sugiura, K.; Ohta, H.; Koumoto, K. J. Appl. Phys. 2006, 100, 096105
49. Xu, Y.; Schoonen, M. A. A. Am. Mineral. 2000, 85, 543
50. Putz, M. V.; Russo, N.; Sicilia, E. Theor. Chem. Acc. 2005, 114, 38
51. Nisar, J.; Wang, B. C.; Pathak, B.; Kang, T. W.; Ahuja, R. Appl. Phys. Lett. 2011, 99, 051909
52. Wang, B. C.; Nisar, J.; Pathak, B.; Kang, T. W.; Ahuja, R. Appl. Phys. Lett. 2012, 100, 182102
53. Jiang, H. J. Phys. Chem. C 2012, 116, 7664
54. Kanan, D. K.; Carter, E. A. J. Phys. Chem. C 2012, 116, 9876
55. Wang, F.; Di Valentin, C.; Pacchioni, G. J. Phys. Chem. C 2012, 116, 8901
56. Wu, J.-C.; Zheng, J.; Zacherl, C. L.; Wu, P.; Liu, Z.-K.; Xu, R. J. Phys. Chem. C 2011, 115, 19741
57. Read, A. J.; Needs, R. J. Phys. Rev. B 1991, 44, 13071
58. PY, Y.; Cardona, M. Fundamentals of Semiconductors; Springer-Verlag: Berlin, 1996.
59. Palik, E. D.; Ghosh, G. Handbook of optical constants of solids; Academic press: London, U.K., 1998; Vol. 3.
60. Eckardt, R. C.; Fan, Y. X.; Byer, R. L.; Marquardt, C. L.; Storm, M. E.; Esterowitz, L. Appl. Phys. Lett. 1986, 49, 608
61. Fan, Y. X.; Eckardt, R. C.; Byer, R. L.; Route, R. K.; Feigelson, R. S. Appl. Phys. Lett. 1984, 45, 313
62. Li, N.; Zhu, L.; Zhang, W.-D.; Yu, Y.-X.; Zhang, W.-H.; Hou, M.-F. J. Alloys Compd. 2011, 509, 9770