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Abstrakty
The electronic structures and optical properties of pure, Cr, S single- and Cr/S co-doped rutile TiO2 were calculated by the first-principle plane wave pseudopotential method based on density functional theory. The calculated results indicate that the three different doping ways can lead to lattice distortion in the rutile TiO2 and introduce local electronic states in the forbidden band of TiO2. The local energy levels in the forbidden band of TiO2 are mainly contributed by Cr-3d and S-3p orbital. Compared with pure TiO2, the absorption edges (i.e. the edge of the main peak) of the doped TiO2 have different blue shifts; however, the light response ranges of the doped systems are extended, especially in the case of Cr single- and Cr/S co-doped TiO2. The extension of the visible light response range of the doped TiO2 may enhance its visible light photocatalytic performance. In addition, the co-doped TiO2 has a stronger oxidation ability, which may increase the catalytic efficiency of TiO2.
Słowa kluczowe
Wydawca
Czasopismo
Rocznik
Tom
Strony
253--262
Opis fizyczny
Bibliogr. 21 poz., tab., rys.
Twórcy
autor
- College of Electronic and Information Engineering, Hebei University, Baoding 071002, China
- Research Center for Computational Materials and Device Simulations, Hebei University, Baoding 071002, China
autor
- College of Electronic and Information Engineering, Hebei University, Baoding 071002, China
autor
- College of Electronic and Information Engineering, Hebei University, Baoding 071002, China
autor
- College of Electronic and Information Engineering, Hebei University, Baoding 071002, China
autor
- College of Electronic and Information Engineering, Hebei University, Baoding 071002, China
autor
- College of Electronic and Information Engineering, Hebei University, Baoding 071002, China
autor
- College of Electronic and Information Engineering, Hebei University, Baoding 071002, China
autor
- College of Electronic and Information Engineering, Hebei University, Baoding 071002, China
- Research Center for Computational Materials and Device Simulations, Hebei University, Baoding 071002, China
Bibliografia
- [1] WANG P., GRATZEL M., Nat. Mater., 21 (2003), 402.
- [2] OHNO T., MITSUI T., MATSUMURA M., Chem. Lett., 32 (2003), 364.
- [3] XU L., TANG C.O., QIAN J., Acta. Phys. Sin., 59 (2010), 2721.
- [4] KAMISAKA H., ADACHI T., YAMASHITA K., J. Chem. Phys., 123 (2005), 84704.
- [5] FUJISHIMA A., HONDA K., Nature, 238 (1972), 37.
- [6] ZHANG J.H., FENG Q., ZHU H.Q., YANG Y., Chinese J. Lasers, 42 (2015), 200.
- [7] GRANT F.A., Rev. Mod. Phys., 31 (1959), 646.
- [8] PAN F.C., LIN X.L., CHEN H.M., Acta. Phys. Sin., 64 (2015), 259.
- [9] LU T.C., LIU Y.Z., LIN L.B., ZU X.T., ZHU J.M., WU L.P., J. Inorg. Mater., 16 (2001), 373.
- [10] YANG Z.H., ZHANG Y.P., KANG C.P., ZHANG R., ZHANG M.G., Acta. Photon. Sin., 4 (2014), 150 . 253–262
- [11] SHI B.C., LIU Y., SONG C.L., HAN G.R., Rare. Metal. Mat. Eng., 37 (2008), 638.
- [12] HOHENBERG P., KOHN W., Phys. Rev., 136 (1964), B864.
- [13] SEGALL M.D., PHILIP J.D.L., J. Phys.: Dondens. Matter.,14 (2002), 2717.
- [14] BEEKE A.D., Phys. Rev. A, 38 (1988), 3098.
- [15] PERDEW J.P., Phys. Rev. B, 33 (1986), 8822.
- [16] TRAYLOR J.G., SMITH H.G., NICKLOW R.M., WILKINSON M.K., Phys. Rev. B, 3457 (1971).
- [17] FENG Q., WANG X.Q., LIU G.B., J. Atom. Mol. Phys., 25 (2008), 1096.
- [18] WANG Y., SHAO X., WANG B., Acta. Phys-Chim. Sin., 29 (2013), 1363.
- [19] UMEBAYASHI T., YAMAKI T., ITOH H., ASAI K., Appl. Phys. Lett., 81 (2002), 454.
- [20] CHEN Q.L., TANG C.Q., J. Mater. Sci. Eng., 24 (2006), 514.
- [21] FENG Q., J. Chongqing Nor. Univ: Natur. Sci., 26(2009), 106.
Typ dokumentu
Bibliografia
Identyfikator YADDA
bwmeta1.element.baztech-07482f1b-ba94-450f-8193-23056fb5b1b3