Serpentine polymorphism: A quantitative insight from first-principles calculations
Single-walled chrysotile nanotubes [...] of increasing size (up to 5004 atoms per unit cell, corresponding to a radius of 205 Å) have been modelled at the Density Functional level of theory. For the first time, it is demonstrated that the (n, -n) and (n, n) series present a minimum energy structure...
| Main Authors: | , , , , |
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| Format: | Journal Article |
| Published: |
The Royal Society of Chemistry
2016
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| Online Access: | http://hdl.handle.net/20.500.11937/26872 |