Point defect diagrams for pure and doped titanium (IV) oxide TiO 2− δ in temperature range of 1073

Abstract

The point defect diagrams in non-stoichiometric titanium (IV) oxide TiO_2−δ, pure and doped with M³⁺ and M⁵⁺ metal ions, are presented in this work. A new method was used for the calculations of the diagrams. This method is based on derived relations between standard Gibbs energy of formation of oxygen vacancies and interstitial cations, intrinsic ionic and electronic defects and oxygen pressure at which the oxide has stoichiometric composition, and it uses experimental values of deviation from the stoichiometry. The calculations were performed using the results of studies obtained by many authors in the temperature range of 1073–1573 K.

Keywords

Electronic materials Titanium (IV) oxide Defects theory Diagram of point defects Schottky defects

Get full access to this article

View all access options for this article.

References

Kröger

F. A.

: ‘The chemistry of imperfect crystal’; 1974, Amsterdam, North-Holland.

Kofstad

: ‘Nonstoichiometry, diffusion and electrical conductivity in binary metal oxides’; 1972, New York, J. Wiley.

Smyth

D. M.

: ‘The defect chemistry of metal oxides’; 2000, New York, Oxford University Press.

Tilley

R. J. D.

: ‘Defects in solids’; 2008, Hoboken, J. Wiley.

Kofstad

: J. Phys. Chem. Solids, 1962, 23, 1579.

Kofstad

: J. Less-Common Met., 1967, 13, 635.

Förland

K. S.

: Acta Chem. Scand., 1964, 18, 1267.

Moser

J. B.

, Blumenthal

R. N.

and Whitmore

D. H.

: J. Am. Ceram. Soc., 1965, 48, 384.

Dirstine

R. T.

and Rosa

C. J.

: Z. Metallkd, 1979, 70, 322, 372.

10.

Marucco

J. F.

, Poumellec

, Gautron

and Lemasson

: J. Phys. Chem. Solids, 1981, 42, 363.

11.

Lee

D. K.

, Jeon

J. I.

, Kim

M. H.

, Choi

and Yoo

H. I.

: J. Solid State Chem., 2005, 178, 185.

12.

Alcock

C. B.

, Zador

and Steele

B. C. H.

: Proc. Br. Ceram. Soc., 1967, 8, 231.

13.

Zador

and Alcock

C. B.

: High Temp. Sci., 1983, 16, 187.

14.

Kozlowska-Rog

, Kozinski

and Rog

: Ann. Soc. Chem. Polonorum, 1976, 50, 2153.

15.

Jacob

K. T.

, Hoque

S. M.

and Waseda

: Mater. Trans. JIM, 2000, 41, 681.

16.

Picard

and Gerdanian

: J. Solid State Chem., 1975, 14, 66.

17.

Rudolph

: Z. Naturforsch., 1959, 14A, 727.

18.

Tannhauser

D. S.

: Solid State Commun., 1963, 1, 223.

19.

Yahia

: Phys. Rev., 1963, 130, 1711.

20.

Greener

E. H.

, Barone

F. J.

and Hirthe

W. M.

: J. Am. Ceram. Soc., 1965, 48, 623.

21.

Blumenthal

R. N.

, Coburn

, Baukus

and Hirthe

W. M.

: J. Phys. Chem. Solids, 1966, 27, 643.

22.

Blumenthal

R. N.

, Baukus

and Hirthe

W. M.

: J. Electrochem. Soc., 1967, 114, 172.

23.

Baumard

J. F.

, Panis

and Ruffier

: Rev. Int. Hautes Temp. Refract., 1975, 12, 321.

24.

Baumard

J. F.

and Tani

: Phys. Status Solidi A, 1977, 39A, 373.

25.

Baumard

J. F.

and Tani

: J. Chem. Phys., 1977, 67, 857.

26.

Tani

and Baumard

J. F.

: J. Solid State Chem., 1980, 32, 105.

27.

Poumellec

, Marucco

J.F

and Lagnel

: Phys. Status Solidi A, 1985, 89A, 375.

28.

Balachandran

and Eror

N. G.

: J. Mater. Sci., 1988, 23, 2676.

29.

Carpentier

J. L.

, Lebrun

and Perdu

: J. Phys. Chem. Solids, 1989, 50, 145.

30.

Son

and Yu

: Korean J. Ceram., 1996, 2, 131.

31.

Nowotny

, Radecka

and Rekas

: J. Phys. Chem. Solids, 1997, 58, 927.

32.

Nowotny

, Radecka

, Rekas

, Sugihara

, Vance

E. R.

and Weppner

: Ceram. Int., 1998, 24, 571.

33.

Kim

M. H.

, Baek

S. B.

and Paik

: J. Korean Phys. Soc., 1998, 32, S1127.

34.

Radecka

and Rekas

: J. Eur. Ceram. Soc., 2002, 22, 2001.

35.

Radecka

and Rekas

: J. Am. Ceram. Soc., 2002, 85, 346.

36.

Kuratomi

, Yamaguchi

, Yamawaki

, Bak

, Nowotny

, Rekas

and Sorrell

C. C.

: Solid State Ionics, 2002, 154–155, 223.

37.

Bak

, Nowotny

, Rekas

and Sorrell

C. C.

: J. Phys. Chem. Solids, 2003, 64, 1043; 1057; 1069; 1089.

38.

Bak

, Nowotny

, Rekas

and Sorrell

C. C.

: Ionics, 2004, 10, 166.

39.

Nowotny

M. K.

, Bak

and Nowotny

: J. Phys. Chem. B, 2006, 110B, 16270, 16283, 16292, 16302, 21560.

40.

Nowotny

, Bak

and Burg

: Phys. Status Solidi B, 2007, 244B, 2037; 2008, 245, 1816.

41.

Nowotny

, Bak

and Burg

: Ionics, 2007, 13, 71, 79, 155.

42.

Nowotny

, Bak

, Burg

, Nowotny

M. K.

and Sheppard

L. R.

: J. Phys. Chem. C, 2007, 111C, 9769.

43.

Nowotny

, Bak

, Nowotny

M. K.

and Sheppard

L. R.

: J. Phys. Chem. C, 2008, 112C, 590−601.

44.

Gibb

R. M.

and Anderson

F. S.

: J. Solid State Chem., 1972, 43, 79.

45.

Blanchin

M. G.

, Faisant

, Picard

, Ezzo

and Fontaine

: Phys. Status Solidi A, 1980, 60A, 351.

46.

Bursil

L. A.

, Hyde

B. G.

, Terasaki

and Watanabe

: Philos. Mag., 1969, 20, 347.

47.

Bursil

L. A.

and Hyde

B. G.

: Prog. Solid State Chem., 1972, 17, 177.

48.

Tilley

R. J. D.

: ‘Chemical physics of solids and their surface’, Proc. R. Soc. London, 1980, 8, 121.

49.

Boureau

and Marucco

J. F.

: Radiat. Eff., 1983, 74, 247.

50.

Blanchin

M. G.

and Bursil

L. A.

: Phys. Status Solidi A, 1984, 86A, 491.

51.

Brouwer

: Philips J. Res., 1954, 9, 366.

52.

Catlow

C. R. A.

and James

: Proc. R. Soc. London A, 1982, 384A, 157.

53.

Catlow

C. R. A.

, Freeman

C. M.

and Royle

R. L.

: Physica B, 1985, 131B, 1.

54.

Haul

and Dümbgen

: J. Phys. Chem. Solids, 1965, 26, 1.

55.

Millot

and Picard

: Solid State Ionics, 1988, 28–30, 1344.

56.

Derry

D. J.

and Lees

D. G.

: J. Phys. Chem. Solids, 1981, 42, 57.

57.

Arita

, Hosoya

, Kobayashi

and Someno

: J. Am. Ceram. Soc., 1979, 62, 443.

58.

Venkatu

D. A.

and Poteat

L. E.

: Mater. Sci. Eng., 1969, 5, 258.

59.

Lundy

T. S.

and Coghlan

W. A.

: J. Phys. (Paris) Colloq. C, 1973, 9C, 299.

60.

Akse

J. R.

and Whitehurst

H. B.

: J. Phys. Chem. Solids, 1978, 39, 457.

61.

Hoshino

, Peterson

N. L.

and Wiley

C. L.

: J. Phys. Chem. Solids, 1985, 46, 1397.

62.

Sasab

, Peterson

N. L.

and Hoshino

: J. Phys. Chem. Solids, 1985, 46, 1267.

63.

Barbanel

V. I.

and Bogomolov

V. N.

: Sov. Phys. Solid State, 1970, 112, 160.

64.

Iguchi

and Yajima

: J. Phys. Soc. Jpn, 1972, 32, 1415.

65.

Baumard

J. F.

: Solid State Commun., 1976, 20, 859.

66.

Ait-Younes

, Millot

and Gerdanian

: Solid State Ionics, 1984, 12, 437.

67.

Millot

: J. Mater. Sci. Lett., 1985, 4, 902.

68.

Radecka

, Sobaś

and Rekas

: Solid State Ionics, 1999, 119, (43), 55.

69.

Lee

D. K.

and Yoo

H. I.

: Solid State Ionics, 2006, 177, 1.

70.

Stokłosa

: Polish J. Chem., 2009, 83, 1455.

71.

Grant

F. A.

: Rev. Mod. Phys., 1959, 31, 649.

72.

Gerritsen

H. J.

, Harrison

S. E.

and Lewis

H. R.

: J. Appl. Phys., 1960, 31, 1566.

73.

Mizushima

, Tanaka

and Iida

: J. Phys. Soc. Jpn, 1972, 32, 1519.

74.

Mizushima

, Tanaka

, Asai

, Iida

and Goodenough

J. B.

: J. Phys. Chem. Solids, 1979, 40, 1129.

75.

Harvich

V. E.

and Cox

P. A.

: ‘The surface science of metal oxides’; 1974, Cambridge, Cambridge University Press.

76.

Maruska

H. P.

and Ghosh

A. K.

: Sol. Energy Mater. Sol. Cells, 1979, 1, 237.

77.

Haber

: in ‘Perspectives in catalysis’, (ed. Thomas

J M

and Zamaraev

K I

), 371; 1992, Oxford, Blackwell.

78.

Fujitsu

and Hamada

: J. Am. Ceram. Soc., 1994, 77, 3281.

79.

Sayle

D. C.

, Catlow

C. R. A.

, Perrin

M. A.

and Nortier

: J. Phys. Chem. Solids, 1995, 56, 799.

80.

Gao

, Liang

and Chambers

S. A.

: Surf. Sci., 1996, 348, 17.

81.

Brezova

, Blazkova

, Karpinsky

, Groskova

, Havlinova

, Jorik

and Ceppan

: J. Photochem. Photobiol. A, 1997, 109A, 177.

82.

Mather

G. C.

, Marques

F. M.

and Frade

J. R.

: J. Eur. Ceram. Soc., 1999, 19, 887.

83.

Gesenhues

and Dentschler

: J. Solid State Chem., 1999, 143, 210.

84.

Umebayashi

, Yamaki

, Itoh

and Asai

: J. Phys. Chem. Solids, 2002, 63, 1909.

85.

Nowotny

, Sorrell

C. C.

, Sheppard

L. R.

and Bak

: Int. J. Hydrogen Energy, 2005, 30, 321.

86.

Eror

N. G.

and Smyth

D. M.

: in ‘The chemistry of extended defects in non-metallic solid’, (ed. Eyring

L R

and O'Keeffe

), 62; 1970, Amsterdam, North-Holland.

87.

Gautron

, Marucco

J. F.

and Lemasson

: Mater. Res. Bull., 1981, 16, 575.

88.

Marucco

J. F.

, Poumellec

, Gautron

and Lemasson

: J. Phys. Chem. Solids, 1985, 46, (71), 709.

89.

Eror

N. G.

: J. Solid State Chem., 1981, 38, 281.

90.

Balachandran

and Eror

N. G.

: J. Mater. Sci., 1982, 17, 1207.

91.

Bernasik

, Radecka

, Rekas

and Słoma

: Appl. Surf. Sci., 1993, 66, 240.

92.

Radecka

, Rekas

and Zakrzewska

: Solid State Phenom., 1994, 39–40, 113, 135.

93.

Radecka

and Rekas

: J. Phys. Chem. Solids, 1995, 56, 1031.

94.

Sheppard

L. R.

, Bak

, Nowotny

and Nowotny

M. K.

: J. Phys. Chem. B, 2006, 110B, 21560, 22447, 22455.

95.

Sheppard

L. R.

, Bak

, Nowotny

and Nowotny

M. K.

: Phys. Status Solidi A, 2006, 203A, R85; Phys. Status Solidi B, 2008, 245B, 1816.

96.

Sheppard

L. R.

, Atanacio

A. J.

, Bak

, Nowotny

and Prince

K. E.

: J. Phys. Chem. B, 2007, 111B, 8126.

97.

Wittke

J. P.

: J. Electrochem. Soc., 1966, 113, 193.

98.

Steele

and McCartney

E. R.

: Nature, 1969, 222, 79.

99.

Peterson

N. L.

: Solid State Ionics, 1984, 12, 201.

100.

Bursill

L. A.

, Hyde

B. G.

and Philip

D. K.

: Philos. Mag., 1971, 23, (3), 1501.

101.

Philip

D. K.

and Bursill

L. A.

: J. Solid State Chem., 1974, 10, 357.

102.

Bursill

L. A.

, Blanchin

M. G.

and Smith

D. J.

: Philos. Mag. A, 1984, 50A, 453, 473.

103.

Roth

R. S.

and Coughonour

L. W.

: J. Res. Nat. Bur. Stand., 1955, 55, 209.

104.

Itakura

, Niizeki

, Toyoda

and Wasaki

: Jpn J. Appl. Phys., 1967, 6, 311.

105.

Sawatari

, Iquchi

and Tilley

R. J. D.

: J. Phys. Chem. Solids, 1982, 43, 1147.

106.

Dawson

, Bristowe

P. D.

, White

J. A.

and Payne

M. C.

: Mater. Res. Soc. Symp. Proc., 1997, 453, 203.

107.

and Sinnott

S. B.

: J. Am. Ceram. Soc., 2005, 88, 737.

108.

Cho

, Han

, Ahn

H. S.

, Lee

K. R.

, Kim

S. K.

and Hwang

C. S.

: Phys. Rev. B, 2006, 73B, 193202.

109.

, Behera

R. K.

, Finnis

M. W.

, Li

, Dickey

E. C.

, Phillpot

S. R.

and Sinnott

S. B.

: Acta Mater., 2007, 55, 4325.

Point defect diagrams for pure and doped titanium (IV) oxide TiO 2− δ in temperature range of 1073–1573 K

Abstract

Keywords

Get full access to this article

References