Superionicity, disorder, and bandgap closure in dense hydrogen chloride

doi:10.1126/sciadv.abi9507

HFCAS OpenIR

	Superionicity, disorder, and bandgap closure in dense hydrogen chloride
	Binns, Jack 1,6; Hermann, Andreas 2,3; Pena-Alvarez, Miriam 2,3; Donnelly, Mary-Ellen 1; Wang, Mengnan 1; Kawaguchi, Saori Imada 4; Gregoryanz, Eugene 1,2,3,5; Howie, Ross T.1; Dalladay-Simpson, Philip 1
	2021-09-01
发表期刊	SCIENCE ADVANCES
ISSN	2375-2548
通讯作者	Hermann, Andreas(a.hermann@ed.ac.uk) ; Dalladay-Simpson, Philip(philip.dalladay-simpson@hpstar.ac.cn)
摘要	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.
DOI	10.1126/sciadv.abi9507
关键词[WOS]	X-RAY-DIFFRACTION ; BOND SYMMETRIZATION ; CRYSTAL-STRUCTURE ; PHASE-TRANSITION ; AMMONIA ; RAMAN ; WATER ; ICE ; SYSTEM
收录类别	SCI
语种	英语
资助项目	1000 Young Talents awards ; Top 1000 Talents award ; National Natural Science Foundation of China (NSFC)[11974034] ; European Research Council (ERC)[695527] ; FLF Award[MR/T043733/1] ; EPSRC[EP/P022561/1] ; EPSRC[EP/P020194]
项目资助者	1000 Young Talents awards ; Top 1000 Talents award ; National Natural Science Foundation of China (NSFC) ; European Research Council (ERC) ; FLF Award ; EPSRC
WOS研究方向	Science & Technology - Other Topics
WOS类目	Multidisciplinary Sciences
WOS记录号	WOS:000695711400033
出版者	AMER ASSOC ADVANCEMENT SCIENCE
引用统计	被引频次：4[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.hfcas.ac.cn:8080/handle/334002/125352
专题	中国科学院合肥物质科学研究院
通讯作者	Hermann, Andreas; Dalladay-Simpson, Philip
作者单位	1.Ctr High Pressure Sci & Technol Adv Res, 1690 Cailun Rd, Shanghai 201203, Peoples R China 2.Univ Edinburgh, Sch Phys, Edinburgh EH9 3JZ, Midlothian, Scotland 3.Univ Edinburgh, Ctr Sci Extreme Condit, Edinburgh EH9 3JZ, Midlothian, Scotland 4.Japan Synchrotron Radiat Res Inst JASRI, Sayo, Hyogo 6795198, Japan 5.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei, Peoples R China 6.RMIT Univ, Sch Sci, Melbourne, Vic 3000, Australia
推荐引用方式 GB/T 7714	Binns, Jack,Hermann, Andreas,Pena-Alvarez, Miriam,et al. Superionicity, disorder, and bandgap closure in dense hydrogen chloride[J]. SCIENCE ADVANCES,2021,7.
APA	Binns, Jack.,Hermann, Andreas.,Pena-Alvarez, Miriam.,Donnelly, Mary-Ellen.,Wang, Mengnan.,...&Dalladay-Simpson, Philip.(2021).Superionicity, disorder, and bandgap closure in dense hydrogen chloride.SCIENCE ADVANCES,7.
MLA	Binns, Jack,et al."Superionicity, disorder, and bandgap closure in dense hydrogen chloride".SCIENCE ADVANCES 7(2021).