Formation and Stability of Dense Methane-Hydrogen Compounds

doi:10.1103/PhysRevLett.128.215702

	Formation and Stability of Dense Methane-Hydrogen Compounds
	Ranieri, Umbertoluca 3,4; Conway, Lewis J.1,5; Donnelly, Mary-Ellen 3; Hu, Huixin 3; Wang, Mengnan 3; Dalladay-Simpson, Philip 3; Pena-Alvarez, Miriam 1,5; Gregoryanz, Eugene 1,2,3,5; Hermann, Andreas 1,5; Howie, Ross T.1,3,5
刊名	PHYSICAL REVIEW LETTERS
	2022-05-27
卷号	128
ISSN号	0031-9007
DOI	10.1103/PhysRevLett.128.215702
通讯作者	Howie, Ross T.(ross.howie@hpstar.ac.cn)
英文摘要	Through a series of x-ray diffraction, optical spectroscopy diamond anvil cell experiments, combined with density functional theory calculations, we explore the dense CH4-H-2 system. We find that pressures as low as 4.8 GPa can stabilize CH4(H-2)(2) and (CH4)(2)H-2, with the latter exhibiting extreme hardening of the intramolecular vibrational mode of H-2 units within the structure. On further compression, a unique structural composition, (CH4)(3)(H-2)(25), emerges. This novel structure holds a vast amount of molecular hydrogen and represents the first compound to surpass 50 wt % H-2. These compounds, stabilized by nuclear quantum effects, persist over a broad pressure regime, exceeding 160 GPa.
资助项目	European Research Council (ERC) under the European Union[948895] ; UKRI Future leaders fellowship[Mrc-Mr/T043733/1] ; Engineering and Physical Sciences Research Council through the Condensed Matter Center for Doctoral Training[EP/L015110/1] ; United Kingdom's National Supercomputer Service through the United Kingdom CarParrinello consortium[EP/P022561/1] ; United Kingdom's National Supercomputer Service through the United Kingdom CarParrinello consortium[d56] ; United Kingdom Materials and Molecular Modelling Hub[EP/P020194]
WOS关键词	X-RAY-DIFFRACTION ; EQUATION-OF-STATE ; HIGH-PRESSURE ; RAMAN-SPECTROSCOPY ; DIAMOND FORMATION ; COMPRESSION ; CRYSTAL ; LINDEMANN ; GPA ; H-2
WOS研究方向	Physics
语种	英语
出版者	AMER PHYSICAL SOC
WOS记录号	WOS:000808312000004
资助机构	European Research Council (ERC) under the European Union ; UKRI Future leaders fellowship ; Engineering and Physical Sciences Research Council through the Condensed Matter Center for Doctoral Training ; United Kingdom's National Supercomputer Service through the United Kingdom CarParrinello consortium ; United Kingdom Materials and Molecular Modelling Hub
内容类型	期刊论文
源URL	[http://ir.hfcas.ac.cn:8080/handle/334002/131311]
专题	中国科学院合肥物质科学研究院
通讯作者	Howie, Ross T.
作者单位	1.Univ Edinburgh, Sch Phys & Astron, Peter Guthrie Tait Rd, Edinburgh, Midlothian, Scotland 2.Chinese Acad Sci, Key Lab Mat Phys, Inst Solid State Phys, Hefei, Peoples R China 3.Ctr High Pressure Sci & Technol Adv Res, 1690 Cailun Rd, Shanghai 201203, Peoples R China 4.Univ Roma La Sapienza, Dipartimento Fis, Piazzale Aldo Moro 5, I-00185 Rome, Italy 5.Univ Edinburgh, Ctr Sci Extreme Condit, Peter Guthrie Tait Rd, Edinburgh, Midlothian, Scotland
推荐引用方式 GB/T 7714	Ranieri, Umbertoluca,Conway, Lewis J.,Donnelly, Mary-Ellen,et al. Formation and Stability of Dense Methane-Hydrogen Compounds[J]. PHYSICAL REVIEW LETTERS,2022,128.
APA	Ranieri, Umbertoluca.,Conway, Lewis J..,Donnelly, Mary-Ellen.,Hu, Huixin.,Wang, Mengnan.,...&Howie, Ross T..(2022).Formation and Stability of Dense Methane-Hydrogen Compounds.PHYSICAL REVIEW LETTERS,128.
MLA	Ranieri, Umbertoluca,et al."Formation and Stability of Dense Methane-Hydrogen Compounds".PHYSICAL REVIEW LETTERS 128(2022).