High-Pressure Insertion of Dense H-2 into a Model Zeolite

doi:10.1021/acs.jpcc.1c02177

	High-Pressure Insertion of Dense H-2 into a Model Zeolite
	Xu, Wan 1,2; Liu, Xiao-Di 1; Pena-Alvarez, Miriam 3,4; Jiang, Hua-Chao 1; Dalladay-Simpson, Philip 5; Coasne, Benoit 6; Haines, Julien 7; Gregoryanz, Eugene 1,3,4,5; Santoro, Mario 1,8,9
刊名	JOURNAL OF PHYSICAL CHEMISTRY C
	2021-04-08
卷号	125
ISSN号	1932-7447
DOI	10.1021/acs.jpcc.1c02177
通讯作者	Liu, Xiao-Di(xiaodi@issp.ac.cn) ; Santoro, Mario(santoro@lens.unifi.it)
英文摘要	Our combined high-pressure synchrotron X-ray diffraction and Monte Carlo modeling studies show super-filling of the zeolite, and computational results suggest an occupancy by a maximum of nearly two inserted H-2 molecules per framework unit, which is about twice that observed in gas hydrates. Super-filling prevents amorphization of the host material up to at least 60 GPa, which is a record pressure for zeolites and also for any group IV element being in full 4-fold coordination, except for carbon. We find that the inserted H-2 forms an exotic topologically constrained glassy-like form, otherwise unattainable in pure hydrogen. Raman spectroscopy on confined H-2 shows that the microporosity of the zeolite is retained over the entire investigated pressure range (up to 80 GPa) and that intermolecular interactions share common aspects with bulk hydrogen, while they are also affected by the zeolite framework.
资助项目	Chinese Academy of Sciences President's International Fellowship Initiative Fund[2019VMA0027] ; National Natural Science Foundation of China[11874361] ; National Natural Science Foundation of China[51672279] ; National Natural Science Foundation of China[11774354] ; National Natural Science Foundation of China[51727806] ; CAS Innovation Grant[CXJJ-19-B08] ; Science Challenge Project[TZ2016001] ; CASHIPS Director's Fund[YZJJ201705] ; Italian Ministry of Education, Universities and Research, MIUR[2015HK93L7] ; European Research Council (ERC) Grant Hecate[695527] ; Rhone-Alpes region[CPER07 13 CIRA] ; Equip@Meso project of the programme Investissements d'Avenir[ANR-10-EQPX-29-01]
WOS研究方向	Chemistry ; Science & Technology - Other Topics ; Materials Science
语种	英语
出版者	AMER CHEMICAL SOC
WOS记录号	WOS:000639044400053
资助机构	Chinese Academy of Sciences President's International Fellowship Initiative Fund ; National Natural Science Foundation of China ; CAS Innovation Grant ; Science Challenge Project ; CASHIPS Director's Fund ; Italian Ministry of Education, Universities and Research, MIUR ; European Research Council (ERC) Grant Hecate ; Rhone-Alpes region ; Equip@Meso project of the programme Investissements d'Avenir
内容类型	期刊论文
源URL	[http://ir.hfcas.ac.cn:8080/handle/334002/121783]
专题	中国科学院合肥物质科学研究院
通讯作者	Liu, Xiao-Di; Santoro, Mario
作者单位	1.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, HFIPS, Hefei 230031, Peoples R China 2.Univ Sci & Technol China, Hefei 230026, Peoples R China 3.Univ Edinburgh, Ctr Sci Extreme Condit, Edinburgh EH9 3FD, Midlothian, Scotland 4.Univ Edinburgh, Sch Phys & Astron, Edinburgh EH9 3FD, Midlothian, Scotland 5.Ctr High Pressure Sci & Technol Adv Res, Shanghai 201203, Peoples R China 6.Univ Grenoble Alpes, LIPhy, CNRS, F-38000 Grenoble, France 7.Univ Montpellier, ENSCM, CNRS, ICGM, F-34095 Montpellier, France 8.Ist Nazl Ott CNR INO, I-50019 Sesto Fiorentino, Italy 9.European Lab Non Linear Spect LENS, I-50019 Sesto Fiorentino, Italy
推荐引用方式 GB/T 7714	Xu, Wan,Liu, Xiao-Di,Pena-Alvarez, Miriam,et al. High-Pressure Insertion of Dense H-2 into a Model Zeolite[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2021,125.
APA	Xu, Wan.,Liu, Xiao-Di.,Pena-Alvarez, Miriam.,Jiang, Hua-Chao.,Dalladay-Simpson, Philip.,...&Santoro, Mario.(2021).High-Pressure Insertion of Dense H-2 into a Model Zeolite.JOURNAL OF PHYSICAL CHEMISTRY C,125.
MLA	Xu, Wan,et al."High-Pressure Insertion of Dense H-2 into a Model Zeolite".JOURNAL OF PHYSICAL CHEMISTRY C 125(2021).