Energetics of nanocrystalline TiO2

M. R. Ranade; A. Navrotsky; H. Z. Zhang; J. F. Banfield; S. H. Elder; A. Zaban; P. H. Borse; S. K. Kulkarni; G. S. Doran; H. J. Whitfield

doi:10.1073/pnas.251534898

Energetics of nanocrystalline TiO₂

M. R. Ranade, A. Navrotsky, H. Z. Zhang, J. F. Banfield, S. H. Elder, A. Zaban, P. H. Borse, S. K. Kulkarni, G. S. Doran, H. J. Whitfield

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Abstract

The energetics of the Ti_O2 polymorphs (rutile, anatase, and brookite) were studied by high temperature oxide melt drop solution calorimetry. Relative to bulk rutile, bulk brookite is 0.71 ± 0.38 kJ/mol (6) and bulk anatase is 2.61 ± 0.41 kJ/mol higher in enthalpy. The surface enthalpies of rutile, brookite, and anatase are 2.2 ± 0.2 J/m², 1.0 ± 0.2 J/m², and 0.4 ± 0.1 J/m², respectively. The closely balanced energetics directly confirm the crossover in stability of nanophase polymorphs inferred by Zhang and Banfield (7). An amorphous sample with surface area of 34,600 m²/mol is 24.25 ± 0.88 kJ/mol higher in enthalpy than bulk rutile.

Original language	English (US)
Pages (from-to)	6476-6481
Number of pages	6
Journal	Proceedings of the National Academy of Sciences of the United States of America
Volume	99
Issue number	SUPPL. 2
DOIs	https://doi.org/10.1073/pnas.251534898
State	Published - Apr 30 2002
Externally published	Yes

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title = "Energetics of nanocrystalline TiO2",

abstract = "The energetics of the TiO2 polymorphs (rutile, anatase, and brookite) were studied by high temperature oxide melt drop solution calorimetry. Relative to bulk rutile, bulk brookite is 0.71 ± 0.38 kJ/mol (6) and bulk anatase is 2.61 ± 0.41 kJ/mol higher in enthalpy. The surface enthalpies of rutile, brookite, and anatase are 2.2 ± 0.2 J/m2, 1.0 ± 0.2 J/m2, and 0.4 ± 0.1 J/m2, respectively. The closely balanced energetics directly confirm the crossover in stability of nanophase polymorphs inferred by Zhang and Banfield (7). An amorphous sample with surface area of 34,600 m2/mol is 24.25 ± 0.88 kJ/mol higher in enthalpy than bulk rutile.",

author = "Ranade, {M. R.} and A. Navrotsky and Zhang, {H. Z.} and Banfield, {J. F.} and Elder, {S. H.} and A. Zaban and Borse, {P. H.} and Kulkarni, {S. K.} and Doran, {G. S.} and Whitfield, {H. J.}",

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doi = "10.1073/pnas.251534898",

language = "English (US)",

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T1 - Energetics of nanocrystalline TiO2

AU - Ranade, M. R.

AU - Navrotsky, A.

AU - Zhang, H. Z.

AU - Banfield, J. F.

AU - Elder, S. H.

AU - Zaban, A.

AU - Borse, P. H.

AU - Kulkarni, S. K.

AU - Doran, G. S.

AU - Whitfield, H. J.

PY - 2002/4/30

Y1 - 2002/4/30

N2 - The energetics of the TiO2 polymorphs (rutile, anatase, and brookite) were studied by high temperature oxide melt drop solution calorimetry. Relative to bulk rutile, bulk brookite is 0.71 ± 0.38 kJ/mol (6) and bulk anatase is 2.61 ± 0.41 kJ/mol higher in enthalpy. The surface enthalpies of rutile, brookite, and anatase are 2.2 ± 0.2 J/m2, 1.0 ± 0.2 J/m2, and 0.4 ± 0.1 J/m2, respectively. The closely balanced energetics directly confirm the crossover in stability of nanophase polymorphs inferred by Zhang and Banfield (7). An amorphous sample with surface area of 34,600 m2/mol is 24.25 ± 0.88 kJ/mol higher in enthalpy than bulk rutile.

AB - The energetics of the TiO2 polymorphs (rutile, anatase, and brookite) were studied by high temperature oxide melt drop solution calorimetry. Relative to bulk rutile, bulk brookite is 0.71 ± 0.38 kJ/mol (6) and bulk anatase is 2.61 ± 0.41 kJ/mol higher in enthalpy. The surface enthalpies of rutile, brookite, and anatase are 2.2 ± 0.2 J/m2, 1.0 ± 0.2 J/m2, and 0.4 ± 0.1 J/m2, respectively. The closely balanced energetics directly confirm the crossover in stability of nanophase polymorphs inferred by Zhang and Banfield (7). An amorphous sample with surface area of 34,600 m2/mol is 24.25 ± 0.88 kJ/mol higher in enthalpy than bulk rutile.

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JF - Proceedings of the National Academy of Sciences of the United States of America

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ER -

Energetics of nanocrystalline TiO₂

Abstract

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