Structure and electronic properties and phase stabilities of the Cd 1-xZnxS solid solution in the range of 0≤x≤1

ChemPhysChem

Volumn 13, Issue 1, 2012, Pages 147-154

  Lu, Jibao ^a   Dai, Ying ^a   Guo, Meng ^a   Wei, Wei ^a   Ma, Yandong ^a   Han, Shenghao ^a   Huang, Baibiao ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

ab initio calculations; electronic structure; phase diagrams; photochemistry; solid state structures

Indexed keywords

CADMIUM COMPOUNDS; CALCULATIONS; CRYSTAL ATOMIC STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ENERGY GAP; OPTICAL PROPERTIES; PHASE DIAGRAMS; PHASE STABILITY; PHOTOCHEMICAL REACTIONS; SOLID SOLUTIONS; STRUCTURAL DESIGN; ZINC COMPOUNDS;

AB INITIO CALCULATIONS; BAND GAP ENGINEERING; CALCULATED PHASE DIAGRAMS; COMPOSITION DEPENDENCE; REGULAR SOLUTION MODEL; SOLID-STATE STRUCTURES; STRUCTURAL AND ELECTRONIC PROPERTIES; VISIBLE-LIGHT RESPONSE PHOTOCATALYST;

SULFUR COMPOUNDS;

EID: 84862932131     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.201100527     Document Type: Article

References (41)

1. T. Bak, J. Nowotny, M. Rekas, C. C. Sorrell, Int. J. Hydrogen Energy 2002, 27, 991.
2. A. Kudo, Y. Miseki, Chem. Soc. Rev. 2009, 38, 253.
3. K. Honda, A. Fujishima, Nature 1972, 238, 37.
4. K. Yang, Y. Dai, B. Huang, ChemPhysChem 2009, 10, 2327
5. J. Lu, Y. Dai, Y. Zhu, B. Huang, ChemCatChem 2011, 3, 378.
6. R. Asahi, T. Morikawa, T. Ohwaki, K. Aoki, Y. Taga, Science 2001, 293, 269.
7. M. Li, J. Jiang, L. Guo, Int. J. Hydrogen Energy 2010, 35, 7036.
8. L. Wang, W. Wang, M. Shang, W. Yin, S. Sun, L. Zhang, Int. J. Hydrogen Energy 2010, 35, 19.
9. F. del Valle, A. Ishikawa, K. Domen, J. A. Villoria de La Mano, M. C. Sánchez-Sánchez, I. D. González, S. Herreras, N. Mota, M. E. Rivas, M. C. Úlvarez Galván, J. L. G. Fierro, R. M. Navarro, Catal. Today 2009, 143, 51.
10. C. Xing, Y. Zhang, W. Yan, L. Guo, Int. J. Hydrogen Energy 2006, 31, 2018.
11. K. Zhang, D. Jing, C. Xing, L. Guo, Int. J. Hydrogen Energy 2007, 32, 4685.
12. X. Zhong, Y. Feng, W. Knoll, M. Han, J. Am. Chem. Soc. 2003, 125, 13559
13. J. Wang, B. Huang, Z. Wang, P. Wang, H. Cheng, Z. Zheng, X. Qin, X. Zhang, Y. Dai, M.-H. Whangbo, J. Mater. Chem. 2011, 21, 4562.
14. T. Taguchi, Y. Endoh, Y. Nozue, Appl. Phys. Lett. 1991, 56, 342
15. M. A. Haase, J. Qiu, J. M. DePuydt, H. Cheng, Appl. Phys. Lett. 1991, 59, 1272
16. H. Jeon, J. Ding, W. Patterson, A. V. Nurmikko, W. Xie, D. C. Grillo, M. Kobayashi, and, R. L. Gunshor, Appl. Phys. Lett. 1991, 59, 3619.
17. N. A. Noor, N. Ikram, S. Ali, S. Nazir, S. M. Alay-e-Abbas, A. Shaukat, J. Alloys Compd. 2010, 507, 356.
18. For example, R. A. Swalin, Thermodynamics of Solids, Wiley-VCH, New York, 1961.
19. A. Janotti, D. Segev, Chris G. Van de Walle, Phys. Rev. B 2006, 74, 045202.
20. C. L. Dong, C. Persson, L. Vayssieres, A. Augustsson, T. Schmitt, M. Mattesini, R. Ahuja, C. L. Chang, J.-H. Guo, Phys. Rev. B 2004, 70, 195325.
21. S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, A. P. Sutton, Phys. Rev. B 1998, 57, 1505.
22. G. Kresse, J. Furthmüller, Phys. Rev. B 1996, 54, 11169.
23. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, C. Fiolhais, Phys. Rev. B 1992, 46, 6671.
24. J. P. Perdew, K. Bruke, M. Ernzerhof, Phys. Rev. Lett. 1996, 77, 3865.
25. H. J. Monkhorst, J. D. Pack, Phys. Rev. B 1976, 13, 5188.
26. P. E. Blöchl, V. Jepsen, O. K. Andersen, Phys. Rev. B 1994, 49, 16223.
27. W. Wei, Y. Dai, K. Yang, M. Guo, B. Huang, J. Phys. Chem. C 2008, 112, 15915.
28. L. L. Jensen, James T. Muckerman, Marshall D. Newton, J. Phys. Chem. C 2008, 112, 3439.
29. C. Di Valentin, J. Phys. Chem. C 2010, 114, 7054.
30. S. Biswas, S. Kar, S. Santra, Y. Jompol, M. Arif, Saiful I. Khondaker, J. Phys. Chem. C 2009, 113, 3617.
31. Y. Zhang, W. Chen, X. Hu, Mater. Lett. 2007, 61, 4847.
32. Y. Zhang, W. Chen, X. Hu, Cryst. Growth Des. 2007, 7, 580.
33. Y. Cai, M. F. Thorpe, Phys. Rev. B 1992, 46, 15872.
34. Y. Cai, M. F. Thorpe, Phys. Rev. B 1992, 46, 15879.
35. J. L. Martins, A. Zunger, Phys. Rev. B 1984, 30, 6217.
36. T. Fukui, J. Appl. Phys. 1985, 57, 5188
37. T. Fukui, Jpn. J. Appl. Phys. Part 2 1984, 23, L208.
38. T. Saito, Y. Arakawa, Phys. Rev. B 1999, 60, 1701.
39. D. Shin, R. Arrõyave, Z.-K. Liu, Phys. Rev. B 2006, 74, 024204.
40. S.-H. Wei, A. Zunger, Phys. Rev. Lett. 1996, 76, 664.
41. L. I. Berger, Semiconductor Materials, CRC Press, Boca Raton, FL, 1994.