Skip to main content
    • Aa
    • Aa

The electronic structure and the photoluminescence property of the photocatalyst BaZn1/3Nb2/3O3

  • B. Xu (a1), W.F. Zhang (a2), X.Y. Liu (a3), J. Yin (a1) and Z.G. Liu (a1)...

The photocatalyst BaZn1/3Nb2/3O3 with ABO3 perovskite structure has been synthesized by using a solid-state reaction process. It was characterized by x-ray diffraction and photoluminescence spectroscopy. The luminescence band centers around 285 nm and shows a large Stokes shift compared with the excitation spectrum, indicating a strong electron–phonon interaction in the photocatalyst BaZn1/3Nb2/3O3. The electronic structure of BaZn1/3Nb2/3O3 was calculated by using the pseudopotential method of the density function theory. It shows that the conduction band should be mainly composed of the Nb 4d states, and the valence band should be mainly composed of the O 2p state. The densities of the O 2p states and the Zn 4s states at the bottom of the conduction band are very low. The Zn 4s states show an expanded structure, which was proposed to be helpful for the migration of the photoexcited carriers, thus favoring the photocatalytic activity of BaZn1/3Nb2/3O3.

Corresponding author
a)Address all correspondence to this author. e-mail:
Hide All
2 R. Asahi , T. Morikawa , T. Ohwaki , K. Aoki Y. Taga : Visible-light photocatalysis in nitrogen-doped titanium oxides. Science 293, 2692001

3 Z. Zou , J. Ye , K. Sayama H. Arakawa : Direct splitting of water under visible light irradiation with an oxide semiconductor photocatalyst. Nature 414, 6252001

4 J. Yin , Z.G. Zou J.H. Ye : Possible role of lattice dynamics in the photocatalytic activity of BaM1/3N2/3O3 (M = Ni, Zn; N = Nb, Ta). J. Phys. Chem. B 108, 88882004

5 J. Yin , Z.G. Zou J.H. Ye : Photophysical and photocatalytic properties of MIn0.5Nb0.5O3 (M = Ca, Sr, and Ba). J. Phys. Chem. B 107, 612003

6 J. Sato , N. Saito , H. Nishiyama Y. Inoue : New photocatalyst group for water decomposition of RuO2-loaded p-block metal (In, Sn, and Sb) oxides with d10 configuration. J. Phys. Chem. B 105, 60612001

7 J. Yin , Z.G. Zou J.H. Ye : A novel series of the new visible-light-driven photocatalysts MCo1/3Nb2/3O3 (M = Ca, Sr, and Ba) with special electronic structures. J. Phys. Chem. B 107, 49362003

8 H.G. Kim , D.W. Hwang J.S. Lee : An undoped, single-phase oxide photocatalyst working under visible light. J. Am. Chem. Soc. 126, 89122004

9 J.F. Reber K. Meier : Photochemical production of hydrogen with zinc sulfide suspensions. J. Phys. Chem. 88, 59031984

10 T. Sato , K. Masaki , T. Yoshioka A. Okuwaki : Photo-catalytic properties of CdS and CdS–ZnS mixtures incorporated into the interlayer of layered compounds. J. Chem. Technol. Biotechnol. 58, 3151993

12 J. Yin , Z.G. Zou J.H. Ye : Photophysical and photocatalytic activities of a novel photocatalyst BaZn1/3Nb2/3O3. J. Phys. Chem. B 108, 127902004

13 M.C. Payne , M.P. Teter , D.C. Allan , T.A. Arias J.D. Joannopoulos : Iterative minimization techniques for ab initio total-energy calculations: Molecular dynamics and conjugate gradients. Rev. Mod. Phys. 64, 10451992

14 F. Galasso J. Pyle : Preparation and study of ordering in A(B′0.33Nb0.67)O3 perovskite-type compounds. J. Phys. Chem. 67, 15611963

15 V. Ting , Y. Liu , R.L. Withers L. Norén : An electron diffraction and bond valence sum study of the space group symmetries and structures of the photocatalytic 1:2 B site ordered A3CoNb2O9 perovskites (A = Ca2+, Sr2+, Ba2+). J. Solid State Chem. 177, 22952004

16 V. Ting , Y. Liu , L. Norén , R.L. Withers , D.J. Goossens , M. James C. Ferraris : A structure, conductivity and dielectric properties investigation of A3CoNb2O9 (A = Ca2+, Sr2+, Ba2+) triple perovskites. J. Solid State Chem. 177, 44282004

17 I.G. Siny , R.W. Tao , R.S. Katiyar , R.Y. Guo A.S. Bhalla : Raman spectroscopy of Mg–Ta order–disorder in BaMg1/3Ta2/3O3. J. Phys. Chem. Solids 59, 1811998

19 W.F. Liu , C. Jia , C.G. Jin , L.Z. Yao , W.L. Cai X.G. Li : Growth mechanism and photoluminescence of CdS nanobelts on Si substrate. J. Cryst. Growth 269, 3042004

Recommend this journal

Email your librarian or administrator to recommend adding this journal to your organisation's collection.

Journal of Materials Research
  • ISSN: 0884-2914
  • EISSN: 2044-5326
  • URL: /core/journals/journal-of-materials-research
Please enter your name
Please enter a valid email address
Who would you like to send this to? *



Full text views

Total number of HTML views: 3
Total number of PDF views: 7 *
Loading metrics...

Abstract views

Total abstract views: 41 *
Loading metrics...

* Views captured on Cambridge Core between September 2016 - 17th October 2017. This data will be updated every 24 hours.