Strain-induced tunability of optical and photocatalytic properties of ZnO mono-layer nanosheet

Computational Materials Science

Volumn 91, Issue , 2014, Pages 38-42

  Kaewmaraya, Thanayut ^a   De Sarkar, Abir ^b   Sa, Baisheng ^c   Sun, Z ^c   Ahuja, Rajeev ^a,d  

^a UPPSALA UNIVERSITY   (Sweden)

^b INSTITUTE OF NANO SCIENCE AND TECHNOLOGY   (India)

^c XIAMEN UNIVERSITY   (China)

^d ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

Band structure; Monolayer; Nanosheet; Strain; ZnO

Indexed keywords

BAND STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY GAP; II-VI SEMICONDUCTORS; MOLECULES; MONOLAYERS; NANOSHEETS; OXIDE MINERALS; PHOTOCATALYTIC ACTIVITY; STABILITY; STRAIN; ZINC OXIDE;

BIAXIAL STRAINS; COMPRESSIVE STRAIN; DYNAMICAL STABILITY; PHOTO-CATALYTIC; PHOTOCATALYTIC PROPERTY; POLAR MOLECULES; UNI-AXIAL STRAINS; ZNO NANOSHEETS;

TENSILE STRAIN;

EID: 84900855217     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2014.04.038     Document Type: Article

References (37)

1. P. Mitra, A.P. Chatterjee, and H.S. Maiti Mater. Lett. 35 1998 33
2. J. Xu, Q. Pan, Y. Shun, and Z. Tian Sens. Actuators, B 66 2000 277
3. H. Rensmo, K. Keis, H. Lindstrm, S. Sdergren, A. Solbrand, A. Hagfeldt, S.-E. Lindquist, L.N. Wang, and M. Muhammed J. Phys. Chem. B 101 1997 2598
4. Z.K. Tang, G.K.L. Wong, P. Yu, M. Kawasaki, A. Ohtomo, H. Koinuma, and Y. Segawa Appl. Phys. Lett. 72 1998 3270
5. F. Claeyssens, C.L. Freeman, N.L. Allan, Y. Sun, M.N.R. Ashfolda, and J.H. Harding J. Mater. Chem. 15 2005 139
6. C.L. Freeman, F. Claeyssens, N.L. Allan, and J.H. Harding Phys. Rev. Lett. 96 2006 066122
7. M. Topsakal, S. Cahangirov, E. Bekaroglu, and S. Ciraci Phys. Rev. B 80 2009 235119
8. Z.C. Tu J. Comput. Theor. Nanosci. 7 2010 1182
9. C. Tusche, H.L. Meyerheim, and J. Kirschner Phys. Rev. Lett. 99 2007 026102
10. G. Weirrum, G. Barcaro, F. Fortunelli, F. Weber, R. Schennech, S. Surnev, and F. Netzer J. Phys. Chem. C 114 2010 15432
11. Y. Wang, Y. Ding, J. Ni, S. Shi, C. Li, and J. Shi Appl. Phys. Lett. 96 2010 213117
12. A.R.B. Mendez, F.L. Urius, M. Terrones, and H. Terrones Nano Lett. 8 2008 1562
13. L. Kou, C. Li, Z. Zhang, and W. Guo Nano Lett. 4 2010 2124
14. F. Guinea, M.I. Katsnelson, and A.K. Geim Nat. Phys. 6 2010 30
15. B.M. Haugerud, L.A. Bosworth, and R.E. Belford J. Appl. Phys. 94 2003 4102
16. L. Kou, C. Tang, W. Guo, and C. Chen ACS Nano 5 2011 1012
17. Z.H. Ni, T. Yu, Y.H. Lu, Y.Y. Wang, Y.P. Feng, and Z.X. Shen ACS Nano 2 2008 2301
18. H. Si, and B.C. Pan J. Appl. Phys. 107 2010 094313
19. H. Behera, and G. Mukhopadhyay Phys. Lett. A 376 2012 3287
20. P. Hohenberg, and W. Kohn Phys. Rev. 136 1964 B864
21. W. Kohn, and L.J. Sham Phys. Rev. 140 1965 A1133
22. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
23. P.E. Blochl Phys. Rev. B 50 1994 17953
24. G. Kresse, and J. Hafner Phys. Rev. B 49 1994 14251
25. G. Kresse, and J. Hafner Phys. Rev. B 59 1999 1758
26. A.J. Lu, R.Q. Zhang, and S.T. Lee Appl. Phys. Lett. 91 2001 263107
27. P.W. Leu, A. Svizhenko, and K. Cho Phys. Rev. B 77 2008 235305
28. P. Logan, and X. Peng Phys. Rev. B 80 2009 115322
29. W. Tang, E. Sanville, and G. Henkelman J. Phys.: Condens. Matter 21 2009 084204
30. E. Sanville, S.D. Kenny, R. Smith, and G. Henkelman J. Comput. Chem. 28 2007 899
31. F.B. Zheng, C.W. Zhang, P.J. Wang, and H.X. Luan J. Appl. Phys. 111 2012 044329
32. Z.C. Tu, and X. Hu Phys. Rev. B 74 2006 035434
33. Q. Chen, J. Wang, L. Zhu, S. Wang, and F. Ding J. Chem. Phys 132 2010 204703
34. S. Yang, D. Prendergast, and J.B. Neaton Appl. Phys. Lett. 98 2011 152108
35. S.K. Yadav, and R. Ramprasad Appl. Phys. Lett. 100 2012 241903
36. G. Chris, and R.M. Van de Walle Phys. Rev. Lett. 62 1986 2028
37. A. Bhattacharya, S. Bhattacharya, and G.P. Das Phys. Rev. B 84 2011 075454