Diverse and tunable electronic structures of single-layer metal phosphorus trichalcogenides for photocatalytic water splitting

Journal of Chemical Physics

Volumn 140, Issue 5, 2014, Pages

  Liu, Jian ^a,b,c   Li, Xi Bo ^b   Wang, Da ^b   Lau, Woon Ming ^b,d   Peng, Ping ^a   Liu, Li Min ^b  

^a HUNAN UNIVERSITY   (China)

^b BEIJING COMPUTATIONAL SCIENCE RESEARCH CENTER   (China)

^c HUNAN INSTITUTE OF ENGINEERING   (China)

^d Chengdu Green Energy and Green Manufacturing Technology R and D Center   (China)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; FERROELECTRIC MATERIALS; HYDROGEN STORAGE; LIGHT; LIGHT ABSORPTION; LITHIUM BATTERIES; MAGNETIC STORAGE; PHOSPHORUS; SELENIUM COMPOUNDS; SEMICONDUCTING SELENIUM COMPOUNDS; SEMICONDUCTING SILVER COMPOUNDS; SILVER COMPOUNDS; WATER ABSORPTION;

DIRECT BAND GAP SEMICONDUCTORS; FERROELECTRIC PROPERTY; FORMATION ENERGIES; LAYERED MATERIAL; LAYERED STRUCTURES; PHOTOCATALYTIC WATER SPLITTING; SINGLE-LAYER METAL; TWO DIMENSIONAL (2 D);

METALS;

EID: 84902554430     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4863695     Document Type: Article

References (50)

1. A. Fujishima and K. Honda, Nature (London) 238 (5358), 37-38 (1972). 10.1038/238037a0
2. S. Morales-Torres, L. Pastrana-Martínez, J. Figueiredo, J. Faria, and A. T. Silva, Environ. Sci. Pollut. Res. 19 (9), 3676-3687 (2012). 10.1007/s11356-012-0939-4
3. X. Chen, S. Shen, L. Guo, and S. S. Mao, Chem. Rev. 110 (11), 6503-6570 (2010). 10.1021/cr1001645
4. Q. Xiang, J. Yu, and M. Jaroniec, Chem. Soc. Rev. 41 (2), 782-796 (2012). 10.1039/c1cs15172j
5. D. J. Goossens, D. James, J. Dong, R. E. Whitfield, L. Norén, and R. L. Withers, J. Phys.: Condens. Matter 23 (6), 065401 (2011). 10.1088/0953-8984/23/6/065401
6. W. Kleemann, V. V. Shvartsman, P. Borisov, J. Banys, and Y. M. Vysochanskii, Phys. Rev. B 84 (9), 094411 (2011). 10.1103/PhysRevB.84.094411
7. X. Li, T. Cao, Q. Niu, J. Shi, and J. Feng, Proc. Natl. Acad. Sci. U.S.A. 110 (10), 3738-3742 (2013). 10.1073/pnas.1219420110
8. V. Maisonneuve, V. B. Cajipe, A. Simon, R. Von Der Muhll, and J. Ravez, Phys. Rev. B 56 (17), 10860-10868 (1997). 10.1103/PhysRevB.56.10860
9. E. Ressouche, M. Loire, V. Simonet, R. Ballou, A. Stunault, and A. Wildes, Phys. Rev. B 82 (10), 100408 (2010). 10.1103/PhysRevB.82.100408
10. Y. Vysochanskii, Ferroelectrics 218 (1), 275-282 (1998). 10.1080/00150199808227155
11. Y. M. Vysochanskii, V. A. Stephanovich, A. A. Molnar, V. B. Cajipe, and X. Bourdon, Phys. Rev. B 58 (14), 9119-9124 (1998). 10.1103/PhysRevB.58.9119
12. A. R. Wildes, K. C. Rule, R. I. Bewley, M. Enderle, and T. J. Hicks, J Phys.: Condens. Matter 24 (41), 416004 (2012). 10.1088/0953-8984/24/41/416004
13. X. Yan, X. Chen, and J. Qin, Mater. Res. Bull. 46 (2), 235-238 (2011). 10.1016/j.materresbull.2010.11.012
14. R. Zeng, S. Q. Wang, G. D. Du, J. L. Wang, J. C. Debnath, P. Shamba, Z. Y. Fang, and S. X. Dou, J. Appl. Phys. 111 (7), 07E144 (2012). 10.1063/1.3679409
15. A. A. El-Meligi, N. Ismail, and M. Madian, Int. J. Nanopart. 4 (4), 326-335 (2011). 10.1504/IJNP.2011.043495
16. J. Feng, X. Qian, C.-W. Huang, and J. Li, Nat. Photonics 6 (12), 866-872 (2012). 10.1038/nphoton.2012.285
17. N. Ismail, A. A. El-Meligi, Y. M. Temerk, and M. Madian, Int. J. Hydrogen Energy 35 (15), 7827-7834 (2010). 10.1016/j.ijhydene.2010.05.061
18. K. Novoselov, D. Jiang, F. Schedin, T. Booth, V. Khotkevich, S. Morozov, and A. Geim, Proc. Natl. Acad. Sci. U. S. A. 102 (30), 10451-10453 (2005). 10.1073/pnas.0502848102
19. V. Nicolosi, M. Chhowalla, M. G. Kanatzidis, M. S. Strano, and J. N. Coleman, Science 340 (6139), 1226419 (2013). 10.1126/science.1226419
20. R. Frindt, D. Yang, and P. Westreich, J. Mater. Res. 20 (05), 1107-1112 (2005). 10.1557/JMR.2005.0161
21. W.-J. Yin, Y.-E. Xie, L.-M. Liu, R.-Z. Wang, X.-L. Wei, L. Lau, J.-X. Zhong, and Y.-P. Chen, J. Mater. Chem. A 1 (17), 5341-5346 (2013). 10.1039/c3ta00097d
22. T. Ouyang, Y. P. Chen, L. M. Liu, Y. Xie, X. L. Wei, and J. X. Zhong, Phys. Rev. B 85 (23), 235436 (2012). 10.1103/PhysRevB.85.235436
23. X. Luo, L.-M. Liu, Z. Hu, W.-H. Wang, W.-X. Song, F. Li, S.-J. Zhao, H. Liu, H.-T. Wang, and Y. Tian, J. Phys. Chem. Lett. 3 (22), 3373-3378 (2012). 10.1021/jz301325z
24. M. Xu, T. Liang, M. Shi, and H. Chen, Chem. Rev. 113 (5), 3766-3798 (2013). 10.1021/cr300263a
25. S. Z. Butler, S. M. Hollen, L. Cao, Y. Cui, J. A. Gupta, H. R. Gutiérrez, T. F. Heinz, S. S. Hong, J. Huang, A. F. Ismach, E. Johnston-Halperin, M. Kuno, V. V. Plashnitsa, R. D. Robinson, R. S. Ruoff, S. Salahuddin, J. Shan, L. Shi, M. G. Spencer, M. Terrones, W. Windl, and J. E. Goldberger, ACS Nano 7 (4), 2898-2926 (2013). 10.1021/nn400280c
26. H. Chen, W. Zhu, and Z. Zhang, Phys. Rev. Lett. 104 (18), 186101 (2010). 10.1103/PhysRevLett.104.186101
27. J. Gao, J. Yip, J. Zhao, B. I. Yakobson, and F. Ding, J. Am. Chem. Soc. 134 (22), 9534-9534 (2012). 10.1021/ja3040398
28. Y. Li, Z. Zhou, P. Shen, and Z. Chen, ACS Nano 3 (7), 1952-1958 (2009). 10.1021/nn9003428
29. M. Long, L. Tang, D. Wang, Y. Li, and Z. Shuai, ACS Nano 5 (4), 2593-2600 (2011). 10.1021/nn102472s
30. X. Luo, J. Yang, H. Liu, X. Wu, Y. Wang, Y. Ma, S.-H. Wei, X. Gong, and H. Xiang, J. Am. Chem. Soc. 133 (40), 16285-16290 (2011). 10.1021/ja2072753
31. Y. Liu, X. Wu, Y. Zhao, X. C. Zeng, and J. Yang, J. Phys. Chem. C 115 (19), 9442-9450 (2011). 10.1021/jp201350e
32. H. Zhang, L.-M. Liu, and W.-M. Lau, J. Mater. Chem. A 1 (36), 10821-10828 (2013). 10.1039/c3ta12098h
33. L. M. Liu, R. Car, A. Selloni, D. M. Dabbs, I. A. Aksay, and R. A. Yetter, J. Am. Chem. Soc. 134 (46), 19011-19016 (2012). 10.1021/ja3058277
34. J. F. Gao, J. F. Zhang, H. S. Liu, Q. F. Zhang, and J. J. Zhao, Nanoscale 5 (20), 9785-9792 (2013). 10.1039/c3nr02826g
35. K. F. Mak, C. Lee, J. Hone, J. Shan, and T. F. Heinz, Phys. Rev. Lett. 105 (13), 136805 (2010). 10.1103/PhysRevLett.105.136805
36. A. Kuc, N. Zibouche, and T. Heine, Phys. Rev. B 83 (24), 245213 (2011). 10.1103/PhysRevB.83.245213
37. C. Ataca, H. Aahin, and S. Ciraci, J. Phys. Chem. C 116 (16), 8983-8999 (2012). 10.1021/jp212558p
38. H. Zhang, X. B. Li, and L. M. Liu, J. Appl. Phys. 114 (9), 093710 (2013). 10.1063/1.4820470
39. G. Kresse and J. Furthmüller, Phys. Rev. B 54 (16), 11169-11186 (1996). 10.1103/PhysRevB.54.11169
40. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77 (18), 3865-3868 (1996). 10.1103/PhysRevLett.77.3865
41. H. L. Zhuang and R. G. Hennig, Chem. Mater. 25 (15), 3232-3238 (2013). 10.1021/cm401661x
42. S. Grimme, J. Comput. Chem. 27 (15), 1787-1799 (2006). 10.1002/jcc.20495
43. M. C. Toroker, D. K. Kanan, N. Alidoust, L. Y. Isseroff, P. Liao, and E. A. Carter, Phys. Chem. Chem. Phys. 13 (37), 16644-16654 (2011). 10.1039/c1cp22128k
44. A. J. Nozik, Annu. Rev. Phys. Chem. 29 (1), 189-222 (1978). 10.1146/annurev.pc.29.100178.001201
45. A. Read and R. Needs, Phys. Rev. B 44 (23), 13071 (1991). 10.1103/PhysRevB.44.13071
46. See supplementary material at http://dx.doi.org/10.1063/1.4863695 E-JCPSA6-140-002406 for the detailed structural and electronic properties.
47. C. Calareso, V. Grasso, and L. Silipigni, J. Appl. Phys. 82 (12), 6228-6234 (1997). 10.1063/1.366508
48. Z. Ma, Z. Yi, J. Sun, and K. Wu, J. Phys. Chem. C 116 (47), 25074-25080 (2012). 10.1021/jp3093447
49. Y. Xu and M. A. Schoonen, Am. Mineral. 85 (3-4), 543-556 (2000).
50. H. L. Zhuang and R. G. Hennig, J. Phys. Chem. C 117, 20440-20445 (2013). 10.1021/jp405808a