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Electronic structure and atomistic simulations of the ideal and defective surfaces of rutile

โœ Scribed by J. Purton; D.W. Bullett; P.M. Oliver; S.C. Parker


Book ID
116067372
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
1023 KB
Volume
336
Category
Article
ISSN
0039-6028

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Atomistic simulation of the surface stru
โœ T.K. Kundu; K. Hanumantha Rao; S.C. Parker ๐Ÿ“‚ Article ๐Ÿ“… 2003 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 608 KB

Atomistic simulation techniques have been used to calculate the surface structure and stability of wollastonite crystal. Seven predominant surfaces have been modelled and their calculated surface energy corresponds well with their morphological domination. The surface energy, hydration energy and re