PL EN


Preferencje help
Widoczny [Schowaj] Abstrakt
Liczba wyników
Czasopismo
2009 | 7 | 4 | 762-767
Tytuł artykułu

DFT study on electronic structures and optical absorption properties of C, S cation- doped SrTiO3

Treść / Zawartość
Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
The effects of C cation and S cation doping on the electronic structures and optical properties of SrTiO3 are investigated by density function theory (DFT) calculations. The calculated results reveal that the top of the valence band is predominately made up of the O 2p states for the pure SrTiO3. When SrTiO3 was doped with C cation and S cation, the top of the valence bands consists mainly of O 2p+C 2s hybrid orbitals and O 2p+S 3s hybrid orbitals, respectively. The band gap of SrTiO3 is narrowed by the doping with C cation and S cation, especially for the C and S-codoped SrTiO3. Moreover, the red shifts of the absorption edge are found by the calculated optical properties, which is consistent with reported experiment results. It is the explanation for their visible light respondency by the presence of C 2s and S 3s states on the upper edge of the valence band. All of these results can explain the good photocatalytic properties of C, S cation-codoped SrTiO3 under visible light irradiation.
Słowa kluczowe
Wydawca

Czasopismo
Rocznik
Tom
7
Numer
4
Strony
762-767
Opis fizyczny
Daty
wydano
2009-12-01
online
2009-07-21
Twórcy
autor
  • College of Chemistry and Chemical Engineering, Harbin Normal University, Harbin, 150025, China, jwliu@hrbnu.edu.cn
autor
  • Harbin Institute of Technology, Harbin, 150001, China
autor
  • College of Chemistry and Chemical Engineering, Harbin Normal University, Harbin, 150025, China
autor
  • College of Chemistry and Chemical Engineering, Harbin Normal University, Harbin, 150025, China
autor
  • College of Chemistry and Chemical Engineering, Harbin Normal University, Harbin, 150025, China
autor
Bibliografia
  • [1] A. Heller, Accounts Chem. Res. 28, 141 (1995) http://dx.doi.org/10.1021/ar00051a007[Crossref]
  • [2] A. L. Linsebigler, G. Q. Lu, J. T. Yates, Chem. Rev. 95, 735 (1995) http://dx.doi.org/10.1021/cr00035a013[Crossref]
  • [3] C. Anderson, A. J. Bard, J. Phys. Chem.-US 99, 9882 (1995) http://dx.doi.org/10.1021/j100024a033[Crossref]
  • [4] Y. Kikuchi, K. Sunada, T. Iyoda, K. Hashimoto, A. Fujishima, J. Photoch. Photobio. A 106, 51 (1997) http://dx.doi.org/10.1016/S1010-6030(97)00038-5[Crossref]
  • [5] A. Heller, Accounts Chem. Res. 28, 503 (1995) http://dx.doi.org/10.1021/ar00060a006[Crossref]
  • [6] R. D. Sun, A. Nakajima, A. Fujishima, T. Watanabe, K. Hashimoto, J. Phys. Chem. B 105, 1984 (2001) http://dx.doi.org/10.1021/jp002525j[Crossref]
  • [7] M. Miyauchi, A. Nakajima, A. Fujishima, K. Hashimoto, T. Watanabe, Chem. Mater. 12, 3 (2000) http://dx.doi.org/10.1021/cm990556p[Crossref]
  • [8] M. Miyauchi, A. Nakajima, T. Watanabe, K. Hashimoto, Chem. Mater. 14, 2812 (2002) http://dx.doi.org/10.1021/cm020076p[Crossref]
  • [9] K. Domen, A. Kudo, T. Onishi, J. Catal. 102, 92 (1986) http://dx.doi.org/10.1016/0021-9517(86)90143-0[Crossref]
  • [10] Q. S. Li, K. Domen, S. Naito, T. Onishi, K. Tamaru, Chem. Lett. 3, 321 (1983) http://dx.doi.org/10.1246/cl.1983.321[Crossref]
  • [11] S. Ahuja, T. R. N. Kutty, J. Photoch. Photobio. A 97, 99 (1996) http://dx.doi.org/10.1016/1010-6030(96)04324-9[Crossref]
  • [12] N. Serpone, P. Maruthamuthu, P. Pichat, E. Pelizzetti, H. Hidaka, J. Photoch. Photobio. A 85, 247 (1995) http://dx.doi.org/10.1016/1010-6030(94)03906-B[Crossref]
  • [13] E. Borgarello, J. Kiwi, M. Gratzel, E. Pelizzetti, M. Visca, J. Am. Chem. Soc. 104, 2996 (1982) http://dx.doi.org/10.1021/ja00375a010[Crossref]
  • [14] M. Anpo, Y. Ichihashi, M. Takeuchi, H. Yamashita, Res. Chem. Intermediat 24, 143 (1998) http://dx.doi.org/10.1163/156856798X00735[Crossref]
  • [15] E. Piera, M. I. Tejedor-Tejedor, M. E. Zorn, M. A. Anderson, Appl. Catal. B-Envirom. 46, 671 (2003) http://dx.doi.org/10.1016/S0926-3373(03)00288-1[Crossref]
  • [16] D. W. Bahnemann, S. N. Kholuiskaya, R. Dillert, A. I. Kulak, A. I. Kokorin, Appl. Catal. B-Envirom. 36, 161 (2002) http://dx.doi.org/10.1016/S0926-3373(01)00301-0[Crossref]
  • [17] J. Liqiang et al., Appl. Catal. B-Envirom. 62, 282 (2006) http://dx.doi.org/10.1016/j.apcatb.2005.08.012[Crossref]
  • [18] C. D. Valentin, G. Pacchioni, A. Selloni, Phy. Rev. B 70, 085116 (2004) http://dx.doi.org/10.1103/PhysRevB.70.085116[Crossref]
  • [19] S. U. M. Khan, M. Al-Shahry, W. B. Ingler Jr., Science 297, 2243 (2002) http://dx.doi.org/10.1126/science.1075035[Crossref]
  • [20] T. Umebayashi, T. Yamaki, H. Itoh, K. Asai, Appl. Phys. Lett. 81, 454 (2002) http://dx.doi.org/10.1063/1.1493647[Crossref]
  • [21] T. Ohno et al., Appl. Catal. A-Gen. 265, 115 (2004) http://dx.doi.org/10.1016/j.apcata.2004.01.007[Crossref]
  • [22] T. Ohno, T. Tsubota, M. Toyofuku, R. Inaba, Catal. Lett. 98, 255 (2004) http://dx.doi.org/10.1007/s10562-004-8689-7[Crossref]
  • [23] R. Asahi, T. Morikawa, T. Ohwaki, A. Aoki, Y. Taga, Science 293, 269 (2001) http://dx.doi.org/10.1126/science.1061051[Crossref]
  • [24] Y. Sakatani, K. Okusato, H. Koike, H. Ando, Photocatalysis 4, 51 (2001) (in Japanese)
  • [25] T. Ihara, M. Ando, S. Sugihara, Photocatalysis 5, 19 (2001) (in Japanese)
  • [26] H. Irie, Y. Watanabe, K. Hashimoto, Chem. Lett. 32, 772 (2003) http://dx.doi.org/10.1246/cl.2003.772[Crossref]
  • [27] S. Sakthivel, H. Kisch, Angew. Chem. Int. Edit. 42, 4908 (2003) http://dx.doi.org/10.1002/anie.200351577[Crossref]
  • [28] J. Wang, S. Yin, Q. Zhang, F. Sato, T. Sato, J. Ceram. Soc. Jpn. 112, S1408 (2004) http://dx.doi.org/10.2109/jcersj.112.22[Crossref]
  • [29] T. Ohno, T. Tsubota, Y. Nakamura, K. Sayama, Appl. Catal. A-Gen. 288, 74 (2005) http://dx.doi.org/10.1016/j.apcata.2005.04.035[Crossref]
  • [30] A. H. Reshak, S. Auluck, I. V. Kityk, Jpn. J. Appl. Phys. 47, 5516 (2008) http://dx.doi.org/10.1143/JJAP.47.5516[Crossref]
  • [31] M. D. Segall et al., J. Phys.-Condens. Mat. 14, 2717 (2002) http://dx.doi.org/10.1088/0953-8984/14/11/301[Crossref]
  • [32] W. Kohn, L. J. Sham, Phys. Rev. 140, A1133 (1965) http://dx.doi.org/10.1103/PhysRev.140.A1133[Crossref]
  • [33] J. W. Liu, G. Chen, Z. H. Li, Z. G. Zhang, J. Solid State Chem. 179, 3704 (2006) http://dx.doi.org/10.1016/j.jssc.2006.08.014[Crossref]
  • [34] S. Cabuk, S. Simsek, Cent. Eur. J. Phys.730, 6(2008)
  • [35] Zh. Lin, A. Orlov, R. M. Lambert, M. C. Payne, J. Phys. Chem. B 109, 20948 (2005) http://dx.doi.org/10.1021/jp053547e[Crossref]
  • [36] T. Ohno, T. Tsubota, Y. Nakamura, K. Sayama, Appl. Catal. A-Gen. 288, 74 (2005) http://dx.doi.org/10.1016/j.apcata.2005.04.035[Crossref]
  • [37] S. H. Wemple, M. Didomenico Jr., I. Camlibel, J. Phys. Chem. Solids 29, 1797 (1968) http://dx.doi.org/10.1016/0022-3697(68)90164-9[Crossref]
  • [38] K. Domen, A. Kudo, T. Onishi, J. Phys. Chem.-US 90, 292 (1986) http://dx.doi.org/10.1021/j100274a018[Crossref]
  • [39] H. Chang et al., Chem. Phys. Lett. 398, 449 (2004) http://dx.doi.org/10.1016/j.cplett.2004.09.113[Crossref]
Typ dokumentu
Bibliografia
Identyfikatory
Identyfikator YADDA
bwmeta1.element.-psjd-doi-10_2478_s11534-009-0009-9
JavaScript jest wyłączony w Twojej przeglądarce internetowej. Włącz go, a następnie odśwież stronę, aby móc w pełni z niej korzystać.