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

Research output: Contribution to journalArticlepeer-review

489 Scopus citations


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.

Original languageEnglish (US)
Pages (from-to)6476-6481
Number of pages6
JournalProceedings of the National Academy of Sciences of the United States of America
Issue numberSUPPL. 2
StatePublished - Apr 30 2002
Externally publishedYes

ASJC Scopus subject areas

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