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New Hydrolytic Process for Producing Zirconium Dioxide, Tin Dioxide, and Titanium Dioxide Nanoparticles (2002)

Deng, Zhao-Xiang ; Wang, Cheng ; Li, Ya-Dong

Westerville, Ohio : American Ceramics Society

Journal of the American Ceramic Society 85 (2002), S. 0

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ISSN: 1551-2916

Source: Blackwell Publishing Journal Backfiles 1879-2005

Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics

Notes: Nanocrystalline ZrO2, SnO2, and TiO2 were synthesized through a simple hydrolytic process based on the etherification of alcohols. The obtained products had good uniformity and were less aggregated than in other synthesis techniques. The synthesis of ZrO2 and SnO2 in this process was dependent mainly on the reaction temperature, whereas the morphologies of TiO2 exhibited a dependence on the alcohols used.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1111/j.1151-2916.2002.tb00537.x

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Relative Stabilities of C92 IPR Fullerenes (2000)

Slanina, Zdenek ; Zhao, Xiang ; Deota, Pradeep ; [et al.]

Springer

Journal of molecular modeling 6 (2000), S. 312-317

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ISSN: 0948-5023

Keywords: Keywords Higher fullerenes, IPR structures, Jahn-Teller effect, SAM1 method

Source: Springer Online Journal Archives 1860-2000

Topics: Chemistry and Pharmacology

Notes: Abstract The complete set of 86 isolated-pentagon-rule (IPR) isomers of C92 has been described by the SAM1 quantum-chemical method, and their energetics checked by density functional theory at the B3LYP/6-31G* level. Although the lowest-energy cage is not identical in both approaches, it still exhibits D 2 symmetry in both cases. As energetics themselves cannot produce reliable relative stabilities at high temperatures, entropy terms are also computed and the relative-stability problem is treated entirely in terms of the Gibbs function. The lowest-energy structure is not the most populated isomer at higher temperatures – it is replaced by a D 3 structure. Further stability interchanges are possible at very high temperatures, when C 3 and C 1 structures are also important. There is a partial agreement of the computations with available observed data.