Ab initio quantum mechanical study of γ-AlOOH boehmite: structure and vibrational spectrum-Reference-Cited by-同舟云学术

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Ab initio quantum mechanical study of γ-AlOOH boehmite: structure and vibrational spectrum

Published:2008-08-16 Issue:1 Volume:36 Page:47-59
ISSN:0342-1791
Container-title:Physics and Chemistry of Minerals
language:en
Short-container-title:Phys Chem Minerals

Author:

Noel Yves,Demichelis Raffaella,Pascale Fabien,Ugliengo Piero,Orlando Roberto,Dovesi Roberto

Publisher

Springer Science and Business Media LLC

Subject

Geochemistry and Petrology,General Materials Science

Link

http://link.springer.com/content/pdf/10.1007/s00269-008-0257-z.pdf

Reference48 articles.

1. Balan E, Lazzeri M, Morin G, Mauri F (2006) First-principles study of the OH-stretching modes of gibbsite. Am Mineral 91:115–119

2. Bokhimi X, Sanchez-Valente J, Pedraza F (2002) Crystallization of sol-gel boehmite via hydrothermal annealing. J Solid State Chem 166:182–190

3. Christensen AN, Lehmann MS, Convert P (1982) Dueteration of crystalline hydroxides. hydrogen bonds of γ-AlOO(H,D) and γ-FeOO(H,D). Acta Chem Scand 36:303–308

4. Chroneos A, Desai K, Redfern SE, Zacate MO, Grimes RW (2006) New atomic scale simulation models for hydroxides and oxyhydroxides. J Mater Sci 41:675–687

5. Chroneos A, Ashley N, Desai K, Maguire JF, Grimes RW (2007) Optimized hydrogen positions for aluminium and iron containing hydroxide minerals. J Mater Sci 42:2024–2029

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