Cargando…
Superionicity, disorder, and bandgap closure in dense hydrogen chloride
Hydrogen bond networks play a crucial role in biomolecules and molecular materials such as ices. How these networks react to pressure directs their properties at extreme conditions. We have studied one of the simplest hydrogen bond formers, hydrogen chloride, from crystallization to metallization, c...
Autores principales: | , , , , , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Association for the Advancement of Science
2021
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8442878/ https://www.ncbi.nlm.nih.gov/pubmed/34516915 http://dx.doi.org/10.1126/sciadv.abi9507 |
_version_ | 1783753083654766592 |
---|---|
author | Binns, Jack Hermann, Andreas Peña-Alvarez, Miriam Donnelly, Mary-Ellen Wang, Mengnan Kawaguchi, Saori Imada Gregoryanz, Eugene Howie, Ross T. Dalladay-Simpson, Philip |
author_facet | Binns, Jack Hermann, Andreas Peña-Alvarez, Miriam Donnelly, Mary-Ellen Wang, Mengnan Kawaguchi, Saori Imada Gregoryanz, Eugene Howie, Ross T. Dalladay-Simpson, Philip |
author_sort | Binns, Jack |
collection | PubMed |
description | Hydrogen bond networks play a crucial role in biomolecules and molecular materials such as ices. How these networks react to pressure directs their properties at extreme conditions. We have studied one of the simplest hydrogen bond formers, hydrogen chloride, from crystallization to metallization, covering a pressure range of more than 2.5 million atmospheres. Following hydrogen bond symmetrization, we identify a previously unknown phase by the appearance of new Raman modes and changes to x-ray diffraction patterns that contradict previous predictions. On further compression, a broad Raman band supersedes the well-defined excitations of phase V, despite retaining a crystalline chlorine substructure. We propose that this mode has its origin in proton (H(+)) mobility and disorder. Above 100 GPa, the optical bandgap closes linearly with extrapolated metallization at 240(10) GPa. Our findings suggest that proton dynamics can drive changes in these networks even at very high densities. |
format | Online Article Text |
id | pubmed-8442878 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | American Association for the Advancement of Science |
record_format | MEDLINE/PubMed |
spelling | pubmed-84428782021-09-24 Superionicity, disorder, and bandgap closure in dense hydrogen chloride Binns, Jack Hermann, Andreas Peña-Alvarez, Miriam Donnelly, Mary-Ellen Wang, Mengnan Kawaguchi, Saori Imada Gregoryanz, Eugene Howie, Ross T. Dalladay-Simpson, Philip Sci Adv Physical and Materials Sciences Hydrogen bond networks play a crucial role in biomolecules and molecular materials such as ices. How these networks react to pressure directs their properties at extreme conditions. We have studied one of the simplest hydrogen bond formers, hydrogen chloride, from crystallization to metallization, covering a pressure range of more than 2.5 million atmospheres. Following hydrogen bond symmetrization, we identify a previously unknown phase by the appearance of new Raman modes and changes to x-ray diffraction patterns that contradict previous predictions. On further compression, a broad Raman band supersedes the well-defined excitations of phase V, despite retaining a crystalline chlorine substructure. We propose that this mode has its origin in proton (H(+)) mobility and disorder. Above 100 GPa, the optical bandgap closes linearly with extrapolated metallization at 240(10) GPa. Our findings suggest that proton dynamics can drive changes in these networks even at very high densities. American Association for the Advancement of Science 2021-09-01 /pmc/articles/PMC8442878/ /pubmed/34516915 http://dx.doi.org/10.1126/sciadv.abi9507 Text en Copyright © 2021 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works. Distributed under a Creative Commons Attribution NonCommercial License 4.0 (CC BY-NC). https://creativecommons.org/licenses/by-nc/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution-NonCommercial license (https://creativecommons.org/licenses/by-nc/4.0/) , which permits use, distribution, and reproduction in any medium, so long as the resultant use is not for commercial advantage and provided the original work is properly cited. |
spellingShingle | Physical and Materials Sciences Binns, Jack Hermann, Andreas Peña-Alvarez, Miriam Donnelly, Mary-Ellen Wang, Mengnan Kawaguchi, Saori Imada Gregoryanz, Eugene Howie, Ross T. Dalladay-Simpson, Philip Superionicity, disorder, and bandgap closure in dense hydrogen chloride |
title | Superionicity, disorder, and bandgap closure in dense hydrogen chloride |
title_full | Superionicity, disorder, and bandgap closure in dense hydrogen chloride |
title_fullStr | Superionicity, disorder, and bandgap closure in dense hydrogen chloride |
title_full_unstemmed | Superionicity, disorder, and bandgap closure in dense hydrogen chloride |
title_short | Superionicity, disorder, and bandgap closure in dense hydrogen chloride |
title_sort | superionicity, disorder, and bandgap closure in dense hydrogen chloride |
topic | Physical and Materials Sciences |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8442878/ https://www.ncbi.nlm.nih.gov/pubmed/34516915 http://dx.doi.org/10.1126/sciadv.abi9507 |
work_keys_str_mv | AT binnsjack superionicitydisorderandbandgapclosureindensehydrogenchloride AT hermannandreas superionicitydisorderandbandgapclosureindensehydrogenchloride AT penaalvarezmiriam superionicitydisorderandbandgapclosureindensehydrogenchloride AT donnellymaryellen superionicitydisorderandbandgapclosureindensehydrogenchloride AT wangmengnan superionicitydisorderandbandgapclosureindensehydrogenchloride AT kawaguchisaoriimada superionicitydisorderandbandgapclosureindensehydrogenchloride AT gregoryanzeugene superionicitydisorderandbandgapclosureindensehydrogenchloride AT howierosst superionicitydisorderandbandgapclosureindensehydrogenchloride AT dalladaysimpsonphilip superionicitydisorderandbandgapclosureindensehydrogenchloride |