Serpentine polymorphism: a quantitative insight from first-principles calculations

Author:

Demichelis Raffaella1234,De La Pierre Marco1234,Mookherjee Mainak567,Zicovich-Wilson Claudio M.8910,Orlando Roberto111213

Affiliation:

1. Nanochemistry Research Institute

2. Curtin Institute for Computation and Department of Chemistry

3. Curtin University

4. 6845 Perth, Australia

5. Earth, Ocean and Atmospheric Sciences

6. Florida State University

7. Tallahassee, USA

8. Centro de Investigación en Ciencias-(IICBA)

9. Universidad Autónoma del Estado de Morelos

10. 62209 Cuernavaca, Mexico

11. Dipartimento di Chimica

12. Università degli Studi di Torino

13. 10125 Torino, Italy

Abstract

Ab initio calculations measure strain energy, curling and lattice misfit of single-walled chrysotile nanotubes.

Funder

National Science Foundation

Curtin University of Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

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