Journal
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Volume 111, Issue 29, Pages 10456-10461Publisher
NATL ACAD SCIENCES
DOI: 10.1073/pnas.1410690111
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Funding
- Department of Energy's Office of Basic Energy Sciences
- Los Alamos National Laboratory [DEAC52-06NA25396]
- Chinese Academy of Sciences [KJCX2-YW-W26, XDB07000000]
- National Nuclear Security Administration under the Stewardship Science Academic Alliances program through Department of Energy [DE-NA0001982]
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Neon hydrate was synthesized and studied by in situ neutron diffraction at 480 MPa and temperatures ranging from 260 to 70 K. For the first time to our knowledge, we demonstrate that neon atoms can be enclathrated in water molecules to form ice II-structured hydrates. The guest Ne atoms occupy the centers of D2O channels and have substantial freedom of movement owing to the lack of direct bonding between guest molecules and host lattices. Molecular dynamics simulation confirms that the resolved structure where Ne dissolved in ice II is thermodynamically stable at 480 MPa and 260 K. The density distributions indicate that the vibration of Ne atoms is mainly in planes perpendicular to D2O channels, whereas their distributions along the channels are further constrained by interactions between adjacent Ne atoms.
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