Vibrationally induced metallisation of the energetic azide α-NaN3-Reference-Cited by-同舟云学术

Vibrationally induced metallisation of the energetic azide α-NaN3

Published:2018 Issue:46 Volume:20 Page:29061-29069
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Michalchuk Adam A. L.¹²³⁴⁵^ORCID,Rudić Svemir⁶⁷⁸⁹⁴^ORCID,Pulham Colin R.¹²³⁴⁵^ORCID,Morrison Carole A.¹²³⁴^ORCID

Affiliation:

1. EaStCHEM School of Chemistry and Centre for Science at Extreme Conditions

2. University of Edinburgh

3. Edinburgh

4. UK

5. EPSRC Centre for Continuous Manufacturing and Crystallisation (CMAC)

6. ISIS Neutron and Muon Source

7. STFC

8. Rutherford Appleton Laboratory

9. Didcot

Abstract

DFT reveals dynamic, vibrationally-induced metallisation of energetic material NaN₃ in the solid state as a potential mechanism for mechanochemical decomposition.

Funder

Engineering and Physical Sciences Research Council

Science and Technology Facilities Council

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP06161K

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