First principles study of dense and metallic nitric sulfur hydrides

Hydrogen sulfide and ammonia form molecular mixtures that could open up new routes towards hydrogen-rich high-pressure/high-temperature superconductors, but their mixing propensity under pressure is not well understood. Here, the authors identify stable nitric sulfur hydrides at high pressure using...

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Autores principales:	Xiaofeng Li, Angus Lowe, Lewis Conway, Maosheng Miao, Andreas Hermann
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/77c0c21b20e940ec94ad740b8cba47a7
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spelling	oai:doaj.org-article:77c0c21b20e940ec94ad740b8cba47a72021-12-02T17:50:39ZFirst principles study of dense and metallic nitric sulfur hydrides10.1038/s42004-021-00517-y2399-3669https://doaj.org/article/77c0c21b20e940ec94ad740b8cba47a72021-06-01T00:00:00Zhttps://doi.org/10.1038/s42004-021-00517-yhttps://doaj.org/toc/2399-3669Hydrogen sulfide and ammonia form molecular mixtures that could open up new routes towards hydrogen-rich high-pressure/high-temperature superconductors, but their mixing propensity under pressure is not well understood. Here, the authors identify stable nitric sulfur hydrides at high pressure using first-principles crystal structure prediction methods.Xiaofeng LiAngus LoweLewis ConwayMaosheng MiaoAndreas HermannNature PortfolioarticleChemistryQD1-999ENCommunications Chemistry, Vol 4, Iss 1, Pp 1-10 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Chemistry QD1-999
spellingShingle	Chemistry QD1-999 Xiaofeng Li Angus Lowe Lewis Conway Maosheng Miao Andreas Hermann First principles study of dense and metallic nitric sulfur hydrides
description	Hydrogen sulfide and ammonia form molecular mixtures that could open up new routes towards hydrogen-rich high-pressure/high-temperature superconductors, but their mixing propensity under pressure is not well understood. Here, the authors identify stable nitric sulfur hydrides at high pressure using first-principles crystal structure prediction methods.
format	article
author	Xiaofeng Li Angus Lowe Lewis Conway Maosheng Miao Andreas Hermann
author_facet	Xiaofeng Li Angus Lowe Lewis Conway Maosheng Miao Andreas Hermann
author_sort	Xiaofeng Li
title	First principles study of dense and metallic nitric sulfur hydrides
title_short	First principles study of dense and metallic nitric sulfur hydrides
title_full	First principles study of dense and metallic nitric sulfur hydrides
title_fullStr	First principles study of dense and metallic nitric sulfur hydrides
title_full_unstemmed	First principles study of dense and metallic nitric sulfur hydrides
title_sort	first principles study of dense and metallic nitric sulfur hydrides
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/77c0c21b20e940ec94ad740b8cba47a7
work_keys_str_mv	AT xiaofengli firstprinciplesstudyofdenseandmetallicnitricsulfurhydrides AT anguslowe firstprinciplesstudyofdenseandmetallicnitricsulfurhydrides AT lewisconway firstprinciplesstudyofdenseandmetallicnitricsulfurhydrides AT maoshengmiao firstprinciplesstudyofdenseandmetallicnitricsulfurhydrides AT andreashermann firstprinciplesstudyofdenseandmetallicnitricsulfurhydrides
_version_	1718379292344188928

First principles study of dense and metallic nitric sulfur hydrides

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