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Pressure-induced amorphization and existence of molecular and polymeric amorphous forms in dense SO2

文献类型：期刊论文

作者Zhang, Huichao2,4; Toth, Ondrej5; Liu, Xiao-Di2; Bini, Roberto6,7; Gregoryanz, Eugene2,8,9,10; Dalladay-Simpson, Philip10; De Panfilis, Simone1; Santoro, Mario2,3,7; Gorelli, Federico Aiace2,3,7; Martonak, Roman5
刊名PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
出版日期2020-04-21
卷号117
ISSN号0027-8424
关键词polyamorphism sulfur dioxide high pressure polymeric form
DOI10.1073/pnas.1917749117
通讯作者Liu, Xiao-Di(xiaodi@issp.ac.cn) ; Santoro, Mario(santoro@lens.unifi.it) ; Gorelli, Federico Aiace(gorelli@lens.unifi.it) ; Martonak, Roman(martonak@fmph.uniba.sk)
英文摘要We report here the pressure-induced amorphization and reversible structural transformation between two amorphous forms of SO2: molecular amorphous and polymeric amorphous, with the transition found at 26 GPa over a broad temperature regime, 77 K to 300 K. The transformation was observed by both Raman spectroscopy and X-ray diffraction in a diamond anvil cell. The results were corroborated by ab initio molecular dynamics simulations, where both forward and reverse transitions were detected, opening a window to detailed analysis of the respective local structures. The high-pressure polymeric amorphous form was found to consist mainly of disordered polymeric chains made of three-coordinated sulfur atoms connected via oxygen atoms, with few residual intact molecules. This study provides an example of polyamorphism in a system consisting of simple molecules with multiple bonds.
WOS关键词TOTAL-ENERGY CALCULATIONS ; AB-INITIO ; SULFUR-DIOXIDE ; PHASE ; TRANSITION ; REACTIVITY ; DYNAMICS ; NITROGEN ; LIQUIDS
资助项目Chinese Academy of Sciences President's International Fellowship Initiative Fund[2018VMA0053] ; 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] ; Chinese Academy of Sciences Innovation[CXJJ-19-B08] ; Science Challenge Project[TZ2016001] ; Hefei Institutes of Physical Science Chinese Academy of Sciences Director's Fund Grant[YZJJ2017705] ; Slovak Research and Development Agency[APVV-15-0496] ; Research and Development Operational Program - European Regional Development Fund[26230120002] ; Research and Development Operational Program - European Regional Development Fund[26210120002]
WOS研究方向Science & Technology - Other Topics
语种英语
出版者NATL ACAD SCIENCES
WOS记录号WOS:000528260600016
资助机构Chinese Academy of Sciences President's International Fellowship Initiative Fund ; National Natural Science Foundation of China ; Chinese Academy of Sciences Innovation ; Science Challenge Project ; Hefei Institutes of Physical Science Chinese Academy of Sciences Director's Fund Grant ; Slovak Research and Development Agency ; Research and Development Operational Program - European Regional Development Fund
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/103393]  
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; Gorelli, Federico Aiace; Martonak, Roman
作者单位1.Ist Italiano Tecnol, Ctr Life Nano Sci, I-00161 Rome, Italy
2.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Peoples R China
3.CNR, INO, I-50125 Florence, Italy
4.Univ Sci & Technol China, Hefei 230026, Peoples R China
5.Comenius Univ, Fac Math Phys & Informat, Dept Expt Phys, Bratislava 84248, Slovakia
6.Univ Florence, Dept Chem, I-50121 Florence, Italy
7.European Lab Nonlinear Spect, I-50019 Sesto Fiorentino, Italy
8.Univ Edinburgh, Sch Phys & Astron, Edinburgh EH9 3JZ, Midlothian, Scotland
9.Univ Edinburgh, Ctr Sci Extreme Condit, Edinburgh EH9 3JZ, Midlothian, Scotland
10.Ctr High Pressure Sci Technol Adv Res, Shanghai 201203, Peoples R China
推荐引用方式
GB/T 7714		 Zhang, Huichao,Toth, Ondrej,Liu, Xiao-Di,et al. Pressure-induced amorphization and existence of molecular and polymeric amorphous forms in dense SO2[J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,2020,117.
APA Zhang, Huichao.,Toth, Ondrej.,Liu, Xiao-Di.,Bini, Roberto.,Gregoryanz, Eugene.,...&Martonak, Roman.(2020).Pressure-induced amorphization and existence of molecular and polymeric amorphous forms in dense SO2.PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA,117.
MLA Zhang, Huichao,et al."Pressure-induced amorphization and existence of molecular and polymeric amorphous forms in dense SO2".PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 117(2020).

入库方式： OAI收割

来源：合肥物质科学研究院

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