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

文献类型：期刊论文

作者Xu, Wan1,9; Liu, Xiao-Di9; Pena-Alvarez, Miriam7,8; Jiang, Hua-Chao9; Dalladay-Simpson, Philip6; Coasne, Benoit5; Haines, Julien4; Gregoryanz, Eugene6,7,8,9; Santoro, Mario2,3,9
刊名JOURNAL OF PHYSICAL CHEMISTRY C
出版日期2021-04-08
卷号125
ISSN号1932-7447
DOI10.1021/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
WOS记录号WOS:000639044400053
出版者AMER CHEMICAL SOC
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
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.Univ Sci & Technol China, Hefei 230026, Peoples R China
2.Ist Nazl Ott CNR INO, I-50019 Sesto Fiorentino, Italy
3.European Lab Non Linear Spect LENS, I-50019 Sesto Fiorentino, Italy
4.Univ Montpellier, ENSCM, CNRS, ICGM, F-34095 Montpellier, France
5.Univ Grenoble Alpes, LIPhy, CNRS, F-38000 Grenoble, France
6.Ctr High Pressure Sci & Technol Adv Res, Shanghai 201203, Peoples R China
7.Univ Edinburgh, Sch Phys & Astron, Edinburgh EH9 3FD, Midlothian, Scotland
8.Univ Edinburgh, Ctr Sci Extreme Condit, Edinburgh EH9 3FD, Midlothian, Scotland
9.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, HFIPS, Hefei 230031, Peoples R China
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).

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来源：合肥物质科学研究院

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