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Items: 1 to 20 of 166

1.

Charge and magnetic states of rutile TiO2 doped with Cr ions.

Kim R, Cho S, Park WG, Cho DY, Oh SJ, Saint-Martin R, Berthet P, Park JG, Yu J.

J Phys Condens Matter. 2014 Apr 9;26(14):146003. doi: 10.1088/0953-8984/26/14/146003. Epub 2014 Mar 20.

PMID:
24651728
2.

A study of the impurity structure for 3d3 (Cr3+ and Mn4+) ions doped into rutile TiO2 crystal.

Açıkgöz M.

Spectrochim Acta A Mol Biomol Spectrosc. 2012 Feb;86:417-22. doi: 10.1016/j.saa.2011.10.061. Epub 2011 Nov 7.

PMID:
22112572
3.

Charge compensation in trivalent cation doped bulk rutile TiO2.

Iwaszuk A, Nolan M.

J Phys Condens Matter. 2011 Aug 24;23(33):334207. doi: 10.1088/0953-8984/23/33/334207. Epub 2011 Aug 3.

PMID:
21813953
4.

The interplay between dopants and oxygen vacancies in the magnetism of V-doped TiO2.

Grau-Crespo R, Schwingenschlögl U.

J Phys Condens Matter. 2011 Aug 24;23(33):334216. doi: 10.1088/0953-8984/23/33/334216. Epub 2011 Aug 3.

PMID:
21813944
5.

Charge transfer in Cr adsorption and reaction at the rutile TiO2(110) surface.

Nolan M, Mulley JS, Bennett RA.

Phys Chem Chem Phys. 2009 Apr 7;11(13):2156-60. doi: 10.1039/b819724e. Epub 2009 Feb 9.

PMID:
19305887
6.

The influence of defects on Mo-doped TiO2 by first-principles studies.

Yu X, Hou T, Sun X, Li Y.

Chemphyschem. 2012 Apr 23;13(6):1514-21. doi: 10.1002/cphc.201101012. Epub 2012 Mar 12.

PMID:
22411783
7.

Energetic and electronic properties of X- (Si, Ge, Sn, Pb) doped TiO2 from first-principles.

Long R, Dai Y, Meng G, Huang B.

Phys Chem Chem Phys. 2009 Oct 1;11(37):8165-72. doi: 10.1039/b903298c. Epub 2009 Jul 9.

PMID:
19756272
8.

Non-classical behaviour of higher valence dopants in chromium (III) oxide by a Cr vacancy compensation mechanism.

Carey JJ, Nolan M.

J Phys Condens Matter. 2017 Oct 18;29(41):415501. doi: 10.1088/1361-648X/aa8250. Epub 2017 Jul 26.

PMID:
28745616
9.

Density functional theory based first-principle calculation of Nb-doped anatase TiO2 and its interactions with oxygen vacancies and interstitial oxygen.

Kamisaka H, Hitosugi T, Suenaga T, Hasegawa T, Yamashita K.

J Chem Phys. 2009 Jul 21;131(3):034702. doi: 10.1063/1.3157283.

PMID:
19624216
10.

New insight into the enhanced visible-light photocatalytic activities of B-, C- and B/C-doped anatase TiO2 by first-principles.

Yu J, Zhou P, Li Q.

Phys Chem Chem Phys. 2013 Aug 7;15(29):12040-7. doi: 10.1039/c3cp44651d. Epub 2013 Feb 21.

PMID:
23426398
11.

Electronic properties of vanadium-doped TiO2.

Islam MM, Bredow T, Gerson A.

Chemphyschem. 2011 Dec 9;12(17):3467-73. doi: 10.1002/cphc.201100557. Epub 2011 Oct 24.

PMID:
22025455
12.

Origin of magnetism and quasiparticles properties in Cr-doped TiO2.

Da Pieve F, Di Matteo S, Rangel T, Giantomassi M, Lamoen D, Rignanese GM, Gonze X.

Phys Rev Lett. 2013 Mar 29;110(13):136402. Epub 2013 Mar 25.

PMID:
23581348
13.

Theoretical study of N-doped TiO2 rutile crystals.

Yang K, Dai Y, Huang B, Han S.

J Phys Chem B. 2006 Nov 30;110(47):24011-4.

PMID:
17125371
14.

O2 and vacancy diffusion on rutile(110): pathways and electronic properties.

Tilocca A, Selloni A.

Chemphyschem. 2005 Sep 5;6(9):1911-6.

PMID:
16080219
15.

Electronic and optical properties of Cr and Cr-N doped anatase TiO2 from screened Coulomb hybrid calculations.

Çelik V, Mete E.

J Phys Condens Matter. 2013 Sep 11;25(36):365502. doi: 10.1088/0953-8984/25/36/365502. Epub 2013 Aug 8.

PMID:
23925174
16.

Electronic structures and current conductivities of B, C, N and F defects in amorphous titanium dioxide.

Pham HH, Wang LW.

Phys Chem Chem Phys. 2015 May 7;17(17):11908-13. doi: 10.1039/c5cp00890e.

PMID:
25872146
17.
18.
19.

Modeling localized photoinduced electrons in rutile-TiO2 using periodic DFT+U methodology.

Jedidi A, Markovits A, Minot C, Bouzriba S, Abderraba M.

Langmuir. 2010 Nov 2;26(21):16232-8. doi: 10.1021/la101359m.

PMID:
20572639
20.

Ferromagnetic GaN--Cr Nanowires.

Wang Q, Sun Q, Jena P, Kawazoe Y.

Nano Lett. 2005 Aug;5(8):1587-90.

PMID:
16089493

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