期刊
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
卷 117, 期 16, 页码 8736-8742出版社
NATL ACAD SCIENCES
DOI: 10.1073/pnas.1917749117
关键词
polyamorphism; sulfur dioxide; high pressure; polymeric form
资金
- Chinese Academy of Sciences President's International Fellowship Initiative Fund [2018VMA0053, 2019VMA0027]
- National Natural Science Foundation of China [11874361, 51672279, 11774354, 51727806]
- Chinese Academy of Sciences Innovation [CXJJ-19-B08]
- Science Challenge Project [TZ2016001]
- Hefei Institutes of Physical Science Chinese Academy of Sciences Director's Fund Grant [YZJJ2017705]
- Slovak Research and Development Agency [APVV-15-0496]
- Research and Development Operational Program - European Regional Development Fund [26230120002, 26210120002]
We report here the pressure-induced amorphization and reversible structural transformation between two amorphous forms of SO2: molecular amorphous and polymeric amorphous, with the transition found at 26 GPa over a broad temperature regime, 77 K to 300 K. The transformation was observed by both Raman spectroscopy and X-ray diffraction in a diamond anvil cell. The results were corroborated by ab initio molecular dynamics simulations, where both forward and reverse transitions were detected, opening a window to detailed analysis of the respective local structures. The high-pressure polymeric amorphous form was found to consist mainly of disordered polymeric chains made of three-coordinated sulfur atoms connected via oxygen atoms, with few residual intact molecules. This study provides an example of polyamorphism in a system consisting of simple molecules with multiple bonds.
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