Computer simulation of hypothetical hydrogen ordered structure of ice XIX

Autor:	Xiao-Tong Dong, Xiao-Ling Qin, Xue-Chun Wang, Jing-Wen Cao, Xiao-Yan Liu, Xu-Hao Yu, Xiao-Qing Yuan, Qing Guo, Yi Sun, Peng Zhang
Rok vydání:	2022
Předmět:	General Physics and Astronomy Physical and Theoretical Chemistry
Zdroj:	Physical Chemistry Chemical Physics. 24:11023-11029
ISSN:	1463-9084 1463-9076
Popis:	A new ice phase, ice XIX, was discovered in 2018, and is the second hydrogen-ordered polymorph of hydrogen-disordered ice VI. The first hydrogen-ordered polymorph of ice VI is ice XV, and ices XIX, VI, and XV comprise a unique triplet group in the ice family. However, the exact crystal structure of ice XIX has not been confirmed. We constructed four possible conformations of ice XIX using neutron diffraction data obtained by Gasser
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b047672cc495e7b2d1f3d4a60b679ac3 https://doi.org/10.1039/d2cp01276f Zobrazit plný text záznamu