Microscopic origin of pressure-induced phase-transitions in urea: a detailed investigation through first principles calculations-Reference-Cited by-同舟云学术

Microscopic origin of pressure-induced phase-transitions in urea: a detailed investigation through first principles calculations

Published:2019 Issue:2 Volume:21 Page:884-900
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Moses Abraham B.¹²³⁴^ORCID,Adivaiah B.¹²³⁴,Vaitheeswaran G.⁵²³⁴¹^ORCID

Affiliation:

1. Advanced Centre of Research in High Energy Materials (ACRHEM)

2. University of Hyderabad

3. Hyderabad-500046

4. India

5. School of Physics

Abstract

Pressure induced phase transitions of urea are identified. The violation of Born stability criteria in the P2₁2₁2₁ structure along with acoustic mode softening in the U–R direction are responsible for P2₁2₁2₁ → P2₁2₁2.

Funder

Defence Research and Development Organisation

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C8CP04827D

Reference83 articles.

1. Ueber künstliche Bildung des Harnstoffs

2. Amide- and urea-functionalized pyrroles and benzopyrroles as synthetic, neutral anion receptors

3. Anion-tuned supramolecular gels: a natural evolution from urea supramolecular chemistry

4. Crystal engineering with urea and thiourea hydrogen-bonding groups

5. Design Strategies for Enhanced Hydrogen-Bond Donor Catalysts

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