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Sökning: WFRF:(Crichton Wilson A.) > Hypervalent hydrido...

LIBRIS Formathandbok  (Information om MARC21)
FältnamnIndikatorerMetadata
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001oai:DiVA.org:uu-514908
003SwePub
008231031s2023 | |||||||||||000 ||eng|
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009oai:DiVA.org:liu-198682
0247 a https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-5149082 URI
0247 a https://doi.org/10.3389/fchem.2023.12517742 DOI
0247 a https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-2239272 URI
0247 a https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-1986822 URI
040 a (SwePub)uud (SwePub)sud (SwePub)liu
041 a engb eng
042 9 SwePub
072 7a ref2 swepub-contenttype
072 7a art2 swepub-publicationtype
1001 a Spektor, Kristinau Univ Leipzig, Fac Chem & Mineral, Inorgan Chem, Leipzig, Germany.;Deutsch Elektronen Synchrotron DESY, Hamburg, Germany.4 aut
2451 0a Hypervalent hydridosilicate in the Na-Si-H system
264 1b Frontiers Media S.A.c 2023
338 a electronic2 rdacarrier
500 a Funding Agencies|This research was supported by the Swedish Research Council (VR) through project 2019-06063 and the Bundesministerium fuer Bildung und Forschung (BMBF)-German Federal Ministry of Education and Research (Grant No. 05K20OLA awarded to HK) and the Deutsche Fo [2019-06063]; Swedish Research Council (VR) [05K20OLA]; Bundesministerium fuer Bildung und Forschung (BMBF)-German Federal Ministry of Education and Research [277832266]; Deutsche Forschungsgemeinschaft [2019-05551]; VR [2009-00971]; Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linkping University; Knut and Alice Wallenberg Foundation [854843]; ERC
520 a Hydrogenation reactions at gigapascal pressures can yield hydrogen-rich materials with properties relating to superconductivity, ion conductivity, and hydrogen storage. Here, we investigated the ternary Na-Si-H system by computational structure prediction and in situ synchrotron diffraction studies of reaction mixtures NaH-Si-H-2 at 5-10 GPa. Structure prediction indicated the existence of various hypervalent hydridosilicate phases with compositions NamSiH(4+m) (m = 1-3) at comparatively low pressures, 0-20 GPa. These ternary Na-Si-H phases share, as a common structural feature, octahedral SiH62- complexes which are condensed into chains for m = 1 and occur as isolated species for m = 2, 3. In situ studies demonstrated the formation of the double salt Na-3[SiH6]H (Na3SiH7, m = 3) containing both octahedral SiH62- moieties and hydridic H-. Upon formation at elevated temperatures (>500 degrees C), Na3SiH7 attains a tetragonal structure (P4/mbm, Z = 2) which, during cooling, transforms to an orthorhombic polymorph (Pbam, Z = 4). Upon decompression, Pbam-Na3SiH7 was retained to approx. 4.5 GPa, below which a further transition into a yet unknown polymorph occurred. Na3SiH7 is a new representative of yet elusive hydridosilicate compounds. Its double salt nature and polymorphism are strongly reminiscent of fluorosilicates and germanates.
650 7a NATURVETENSKAPx Kemix Oorganisk kemi0 (SwePub)104042 hsv//swe
650 7a NATURAL SCIENCESx Chemical Sciencesx Inorganic Chemistry0 (SwePub)104042 hsv//eng
650 7a NATURVETENSKAPx Fysikx Den kondenserade materiens fysik0 (SwePub)103042 hsv//swe
650 7a NATURAL SCIENCESx Physical Sciencesx Condensed Matter Physics0 (SwePub)103042 hsv//eng
650 7a NATURVETENSKAPx Kemix Materialkemi0 (SwePub)104032 hsv//swe
650 7a NATURAL SCIENCESx Chemical Sciencesx Materials Chemistry0 (SwePub)104032 hsv//eng
653 a hydridosilicate
653 a gigapascal hydrogenation
653 a multi-anvil techniques
653 a crystal structure prediction
653 a hypervalency
7001 a Kohlmann, Holgeru Univ Leipzig, Fac Chem & Mineral, Inorgan Chem, Leipzig, Germany.4 aut
7001 a Druzhbin, Dmitriiu ESRF European Synchrotron Radiat Facil, Grenoble, France.4 aut
7001 a Crichton, Wilson A.u ESRF European Synchrotron Radiat Facil, Grenoble, France.4 aut
7001 a Bhat, Shrikantu Deutsch Elektronen Synchrotron DESY, Hamburg, Germany.4 aut
7001 a Simak, Sergei I.,d 1967-u Linköpings universitet,Uppsala universitet,Materialteori,Linköping Univ, Dept Phys Chem & Biol IFM, Theoret Phys Div, Linköping, Sweden.,Teoretisk Fysik,Tekniska fakulteten,Uppsala Univ, Sweden4 aut0 (Swepub:liu)sersi78
7001 a Vekilova, Olga Yuu Stockholm Univ, Dept Mat & Environm Chem, Stockholm, Sweden.4 aut
7001 a Häussermann, Ulrich,d 1964-u Stockholms universitet,Institutionen för material- och miljökemi (MMK),Stockholm Univ, Dept Mat & Environm Chem, Stockholm, Sweden.4 aut0 (Swepub:su)ulrich
7102 a Univ Leipzig, Fac Chem & Mineral, Inorgan Chem, Leipzig, Germany.;Deutsch Elektronen Synchrotron DESY, Hamburg, Germany.b Univ Leipzig, Fac Chem & Mineral, Inorgan Chem, Leipzig, Germany.4 org
7730 t Frontiers in Chemistryd : Frontiers Media S.A.g 11q 11x 2296-2646
8564 u https://doi.org/10.3389/fchem.2023.1251774y Fulltext
8564 u https://uu.diva-portal.org/smash/get/diva2:1808623/FULLTEXT01.pdfx primaryx Raw objecty fulltext:print
8564 u https://liu.diva-portal.org/smash/get/diva2:1806827/FULLTEXT01.pdfx primaryx Raw objecty fulltext:print
8564 8u https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-514908
8564 8u https://doi.org/10.3389/fchem.2023.1251774
8564 8u https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-223927
8564 8u https://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-198682

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