Serpentine polymorphism: A quantitative insight from first-principles calculations

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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...

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Bibliographic Details
Main Authors:	Demichelis, Raffaella, De La Pierre, Marco, Mookherjee, M., Zicovich-Wilson, C., Orlando, R.
Format:	Journal Article
Published:	The Royal Society of Chemistry 2016
Online Access:	http://hdl.handle.net/20.500.11937/26872

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