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  4. 中科院固体物理研究所
High-pressure phase transition of alkali metal-transition metal deuteride Li2PdD2

文献类型：期刊论文

作者Yao, Yansun1,2; Stavrou, Elissaios3,4; Goncharov, Alexander F.3,5,6; Majumdar, Arnab1; Wang, Hui7; Prakapenka, Vitali B.8; Epshteyn, Albert9; Purdy, Andrew P.9
刊名JOURNAL OF CHEMICAL PHYSICS
出版日期2017-06-21
卷号146期号:23页码:1-7
DOI10.1063/1.4986245
文献子类Article
英文摘要A combined theoretical and experimental study of lithium palladium deuteride (Li2PdD2) subjected to pressures up to 50 GPa reveals one structural phase transition near 10 GPa, detected by synchrotron powder x-ray diffraction, and metadynamics simulations. The ambient-pressure tetragonal phase of Li2PdD2 transforms into a monoclinic C2/m phase that is distinct from all known structures of alkali metal-transition metal hydrides/deuterides. The structure of the high-pressure phase was characterized using ab initio computational techniques and from refinement of the powder x-ray diffraction data. In the high-pressure phase, the PdD2 complexes lose molecular integrity and are fused to extended [PdD2](infinity) chains. The discovered phase transition and new structure are relevant to the possible hydrogen storage application of Li2PdD2 and alkali metal-transition metal hydrides in general. Published by AIP Publishing.
WOS关键词HYDRIDES ; PALLADIUM ; HYDROGEN ; COMPLEX ; STABILIZATION ; PDH2
WOS研究方向Chemistry ; Physics
语种英语
WOS记录号WOS:000404051000014
资助机构Natural Sciences and Engineering Research Council of Canada (NSERC) ; Natural Sciences and Engineering Research Council of Canada (NSERC) ; Natural Sciences and Engineering Research Council of Canada (NSERC) ; Natural Sciences and Engineering Research Council of Canada (NSERC) ; DARPA(W31P4Q1310005 ; DARPA(W31P4Q1310005 ; DARPA(W31P4Q1310005 ; DARPA(W31P4Q1310005 ; Deep Carbon Observatory DCO ; Deep Carbon Observatory DCO ; Deep Carbon Observatory DCO ; Deep Carbon Observatory DCO ; Chinese Academy of Sciences(2011T2J20) ; Chinese Academy of Sciences(2011T2J20) ; Chinese Academy of Sciences(2011T2J20) ; Chinese Academy of Sciences(2011T2J20) ; Recruitment Program of Foreign Experts ; Recruitment Program of Foreign Experts ; Recruitment Program of Foreign Experts ; Recruitment Program of Foreign Experts ; U.S. Department of Energy by Lawrence Livermore National Security, LLC(DE-AC52-07NA27344) ; U.S. Department of Energy by Lawrence Livermore National Security, LLC(DE-AC52-07NA27344) ; U.S. Department of Energy by Lawrence Livermore National Security, LLC(DE-AC52-07NA27344) ; U.S. Department of Energy by Lawrence Livermore National Security, LLC(DE-AC52-07NA27344) ; U.S. NSF(EAR-0622171 ; U.S. NSF(EAR-0622171 ; U.S. NSF(EAR-0622171 ; U.S. NSF(EAR-0622171 ; DOE Geosciences(DE-FG02-94ER14466) ; DOE Geosciences(DE-FG02-94ER14466) ; DOE Geosciences(DE-FG02-94ER14466) ; DOE Geosciences(DE-FG02-94ER14466) ; DOE-BES(DE-AC02-06CH11357) ; DOE-BES(DE-AC02-06CH11357) ; DOE-BES(DE-AC02-06CH11357) ; DOE-BES(DE-AC02-06CH11357) ; Office of Naval Research ; Office of Naval Research ; Office of Naval Research ; Office of Naval Research ; W31P4Q1210008) ; W31P4Q1210008) ; W31P4Q1210008) ; W31P4Q1210008) ; DMR-1231586) ; DMR-1231586) ; DMR-1231586) ; DMR-1231586) ; Natural Sciences and Engineering Research Council of Canada (NSERC) ; Natural Sciences and Engineering Research Council of Canada (NSERC) ; Natural Sciences and Engineering Research Council of Canada (NSERC) ; Natural Sciences and Engineering Research Council of Canada (NSERC) ; DARPA(W31P4Q1310005 ; DARPA(W31P4Q1310005 ; DARPA(W31P4Q1310005 ; DARPA(W31P4Q1310005 ; Deep Carbon Observatory DCO ; Deep Carbon Observatory DCO ; Deep Carbon Observatory DCO ; Deep Carbon Observatory DCO ; Chinese Academy of Sciences(2011T2J20) ; Chinese Academy of Sciences(2011T2J20) ; Chinese Academy of Sciences(2011T2J20) ; Chinese Academy of Sciences(2011T2J20) ; Recruitment Program of Foreign Experts ; Recruitment Program of Foreign Experts ; Recruitment Program of Foreign Experts ; Recruitment Program of Foreign Experts ; U.S. Department of Energy by Lawrence Livermore National Security, LLC(DE-AC52-07NA27344) ; U.S. Department of Energy by Lawrence Livermore National Security, LLC(DE-AC52-07NA27344) ; U.S. Department of Energy by Lawrence Livermore National Security, LLC(DE-AC52-07NA27344) ; U.S. Department of Energy by Lawrence Livermore National Security, LLC(DE-AC52-07NA27344) ; U.S. NSF(EAR-0622171 ; U.S. NSF(EAR-0622171 ; U.S. NSF(EAR-0622171 ; U.S. NSF(EAR-0622171 ; DOE Geosciences(DE-FG02-94ER14466) ; DOE Geosciences(DE-FG02-94ER14466) ; DOE Geosciences(DE-FG02-94ER14466) ; DOE Geosciences(DE-FG02-94ER14466) ; DOE-BES(DE-AC02-06CH11357) ; DOE-BES(DE-AC02-06CH11357) ; DOE-BES(DE-AC02-06CH11357) ; DOE-BES(DE-AC02-06CH11357) ; Office of Naval Research ; Office of Naval Research ; Office of Naval Research ; Office of Naval Research ; W31P4Q1210008) ; W31P4Q1210008) ; W31P4Q1210008) ; W31P4Q1210008) ; DMR-1231586) ; DMR-1231586) ; DMR-1231586) ; DMR-1231586)
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/32001]  
专题合肥物质科学研究院_中科院固体物理研究所
作者单位1.Univ Saskatchewan, Dept Phys & Engn Phys, Saskatoon, SK S7N 5E2, Canada
2.Canadian Light Source, Saskatoon, SK S7N 2V3, Canada
3.Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA
4.Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, POB 808 L-350, Livermore, CA 94550 USA
5.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Peoples R China
6.Chinese Acad Sci, Inst Solid State Phys, Ctr Energy Matter Extreme Environm, Hefei 230031, Peoples R China
7.Jilin Univ, State Key Lab Superhard Mat, Changchun 130012, Peoples R China
8.Univ Chicago, Ctr Adv Radiat Sources, Chicago, IL 60637 USA
9.Naval Res Lab, Chem Div, 4555 Overlook Ave SW, Washington, DC 20375 USA
推荐引用方式
GB/T 7714		 Yao, Yansun,Stavrou, Elissaios,Goncharov, Alexander F.,et al. High-pressure phase transition of alkali metal-transition metal deuteride Li2PdD2[J]. JOURNAL OF CHEMICAL PHYSICS,2017,146(23):1-7.
APA Yao, Yansun.,Stavrou, Elissaios.,Goncharov, Alexander F..,Majumdar, Arnab.,Wang, Hui.,...&Purdy, Andrew P..(2017).High-pressure phase transition of alkali metal-transition metal deuteride Li2PdD2.JOURNAL OF CHEMICAL PHYSICS,146(23),1-7.
MLA Yao, Yansun,et al."High-pressure phase transition of alkali metal-transition metal deuteride Li2PdD2".JOURNAL OF CHEMICAL PHYSICS 146.23(2017):1-7.

入库方式： OAI收割

来源：合肥物质科学研究院

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