Analysis of electronic structures of 3d transition metal-doped TiO 2 based on band calculations
Tài liệu tham khảo
Ollis, 1993
Pascual, 1977, Resolved quadrupolar transition TiO2, Phys. Rev. Lett., 39, 1490, 10.1103/PhysRevLett.39.1490
Yamashita, 1999, Characterization of metal ion-implanted titanium oxide photocatalysts operating under visible light irradiation, J. Synchrotron Rad., 6, 451, 10.1107/S0909049598017257
Herrmann, 1984, Effect of chromium doping on the electrical and catalytic properties of powder titania under UV and visible illumination, Chem. Phys. Lett., 108, 618, 10.1016/0009-2614(84)85067-8
Borgarello, 1982, Visible light induced water cleavage in colloidal solutions of chromium-doped titanium dioxide particles, J. Am. Chem. Soc., 104, 2996, 10.1021/ja00375a010
Karakitsou, 1993, Effects of altervalent cation doping of TiO2 on its performance as a photocatalyst for water cleavage, J. Phys. Chem., 97, 1184, 10.1021/j100108a014
Mu, 1989, Room temperature photocatalytic oxidation of liquid cyclohexane into cyclohexanone over neat and modified TiO2, Catal. Lett., 3, 73, 10.1007/BF00765057
Choi, 1994, The role of metal ion dopants in quantum-sized TiO2: correlation between photoreactivity and charge carrier recombination dynamics, J. Phys. Chem., 98, 13669, 10.1021/j100102a038
Luo, 1992, Decrease in the photoactivity of TiO2 pigment on doping with transition metals, J. Photochem. Photobiol. A: Chem., 63, 367, 10.1016/1010-6030(92)85202-6
Palmisano, 1988, Activity of chromium-ion-doped titania for the dinitrogen photoreduction to ammonia and for the phenol photodegration, J. Phys. Chem., 92, 6710, 10.1021/j100334a044
Wang, 1999, The photoelectrochemistry of transition metal-ion-doped TiO2 nanocrystalline electrodes and higher solar cell conversion efficiency based on Zn2+-doped TiO2 electrode, J. Mater. Sci., 34, 2773, 10.1023/A:1004658629133
Wang, 1999, The photoelectrochemical properties of metal-ion-doped TiO2 nanocrystalline electrodes, Thin Solid Films, 349, 120, 10.1016/S0040-6090(99)00239-4
Matsumoto, 1981, Photoelectrochemical properties of polycrystalline TiO2 doped with 3d transition metals, J. Electrochem. Soc., 128, 1040, 10.1149/1.2127546
Sambrano, 1997, An ab initio study of oxygen vacancies and doping process of Nb and Cr atoms on TiO2 (110) surface models, Int. J. Quantum Chem., 65, 625, 10.1002/(SICI)1097-461X(1997)65:5<625::AID-QUA28>3.0.CO;2-#
Nishikawa, 1999, Prospect of activating a photocatalyst by sunlight—a quantum chemical study of isomorphically substituted titania, Chem. Lett., 1133, 10.1246/cl.1999.1133
Casarin, 1999, Electronic structures of Nb impurities in and on TiO2, Phys. Chem. Chem. Phys., 1, 3793, 10.1039/a902657f
Evarestov, 1999, Supercell model of V-doped TiO2: unrestricted Hartree–Fock calculations, Phys. Status Solidi, 215, 949, 10.1002/(SICI)1521-3951(199910)215:2<949::AID-PSSB949>3.0.CO;2-M
Sato, 1999, Ab initio calculations of electronic field gradients detected by impurities in TiO2, Al2O3 and Ca2CO3, Hyperfine Interact., 145, 10.1023/A:1017090315672
Errico, 2000, Fp-Lapw study of the EFG at impurity sites in oxides: Cd in rutile TiO2, Z. Naturforsch., 55, 267, 10.1515/zna-2000-1-247
Grant, 1959, Properties of rutile (titanium dioxide), Rev. Mod. Phys., 31, 646, 10.1103/RevModPhys.31.646
Perdew, 1996, Generalized gradient approximation made simple, Phys. Rev. Lett., 77, 3865, 10.1103/PhysRevLett.77.3865
Argaman, 2000, Density functional theory: an introduction, Am. J. Phys., 68, 69, 10.1119/1.19375
P. Blaha, K. Schwarz, J. Luitz, WIEN97, A full potential linearized augmented plane wave package for calculating crystal properties, Technical University Wien, Vienna, 1999 (ISBN 3-9501031-0-4).
Perdew, 1983, Physical content of the exact Kohn–Sham orbital energies: band gaps and derivative discontinuities, Phys. Rev. Lett., 51, 1884, 10.1103/PhysRevLett.51.1884
Stampfl, 1999, Density-functional calculations for III–IV nitride using the local-density approximation and the generalized gradient approximation, Phys. Rev. B, 59, 5521, 10.1103/PhysRevB.59.5521
Soratin, 1992, Chemical bonding in rutile-type compounds, Inorg. Chem., 31, 567, 10.1021/ic00030a009
Halperin, 1966, Impurity-band tails in the high-density limit I minimum counting methods, Phys. Rev., 148, 722, 10.1103/PhysRev.148.722
