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FältnamnIndikatorerMetadata
00005428naa a2200553 4500
001oai:DiVA.org:su-166779
003SwePub
008190312s2019 | |||||||||||000 ||eng|
009oai:research.chalmers.se:ecf084b9-a5ca-4ee8-af0f-f18b5dbb6e41
0247 a https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-1667792 URI
0247 a https://doi.org/10.1021/acs.jpcc.8b084512 DOI
0247 a https://research.chalmers.se/publication/5087572 URI
040 a (SwePub)sud (SwePub)cth
041 a engb eng
042 9 SwePub
072 7a ref2 swepub-contenttype
072 7a art2 swepub-publicationtype
1001 a Eklöf-Österberg, Carin,d 1987u Chalmers tekniska högskola,Chalmers University of Technology4 aut0 (Swepub:cth)ocarin
2451 0a Dynamics of Hydride Ions in Metal Hydride-Reduced BaTiO3 Samples Investigated with Quasielastic Neutron Scattering
264 c 2018-10-31
264 1b American Chemical Society (ACS),c 2019
338 a print2 rdacarrier
520 a Perovskite-type oxyhydrides, BaTiO3-xHx, have been recently shown to exhibit hydride-ion (H-) conductivity at elevated temperatures, but the underlying mechanism of hydride-ion conduction and how it depends on temperature and oxygen vacancy concentration remains unclear. Here, we investigate, through the use of quasielastic neutron scattering techniques, the nature of the hydride-ion dynamics in three metal hydride-reduced BaTiO3 samples that are characterized by the simultaneous presence of hydride ions and oxygen vacancies. Measurements of elastic fixed window scans upon heating reveal the presence of quasielastic scattering due to hydride-ion dynamics for temperatures above ca. 200 K. Analyses of quasielastic spectra measured at low (225 and 250 K) and high (400-700 K) temperature show that the dynamics can be adequately described by established models of jump diffusion. At low temperature, <= 250 K, all of the models feature a characteristic jump distance of about 2.8 angstrom, thus of the order of the distance between neighboring oxygen atoms or oxygen vacancies of the perovskite lattice and a mean residence time between successive jumps of the order of 0.1 ns. At higher temperatures, >400 K, the jump distance increases to about 4 angstrom, thus of the order of the distance between next-nearest neighboring oxygen atoms or oxygen vacancies, with a mean residence time of the order of picoseconds. A diffusion constant D was computed from the data measured at low and high temperatures, respectively, and takes on values of about 0.4 X 10(-6) cm(-2) s(-1) at the lowest applied temperature of 225 K and between ca. 20 X 10(-6) and 100 X 10(-6) cm(-2) s(-1) at temperatures between 400 and 700 K. Activation energies E-a were derived from the measurements at high temperatures and take on values of about 0.1 eV and show a slight increase with increasing oxygen vacancy concentration.
650 7a NATURVETENSKAPx Kemi0 (SwePub)1042 hsv//swe
650 7a NATURAL SCIENCESx Chemical Sciences0 (SwePub)1042 hsv//eng
650 7a TEKNIK OCH TEKNOLOGIERx Nanoteknik0 (SwePub)2102 hsv//swe
650 7a ENGINEERING AND TECHNOLOGYx Nano-technology0 (SwePub)2102 hsv//eng
650 7a TEKNIK OCH TEKNOLOGIERx Materialteknik0 (SwePub)2052 hsv//swe
650 7a ENGINEERING AND TECHNOLOGYx Materials Engineering0 (SwePub)2052 hsv//eng
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 Kemix Materialkemi0 (SwePub)104032 hsv//swe
650 7a NATURAL SCIENCESx Chemical Sciencesx Materials Chemistry0 (SwePub)104032 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
7001 a Nedumkandathil, Rejiu Stockholms universitet,Institutionen för material- och miljökemi (MMK),Stockholm University4 aut0 (Swepub:su)rnedu
7001 a Häussermann, Ulrichu Stockholms universitet,Institutionen för material- och miljökemi (MMK),Stockholm University4 aut0 (Swepub:su)ulrich
7001 a Jaworski, Aleksanderu Stockholms universitet,Institutionen för material- och miljökemi (MMK),Stockholm University4 aut0 (Swepub:su)ajawo
7001 a Pell, Andrew J.u Stockholms universitet,Institutionen för material- och miljökemi (MMK),Stockholm University4 aut0 (Swepub:su)apell
7001 a Tyagi, Madhusudanu University of Maryland,National Institute of Standards and Technology (NIST)4 aut
7001 a Jalarvo, Niina H.u Oak Ridge National Laboratory4 aut
7001 a Frick, Bernhardu Institut Laue-Langevin4 aut
7001 a Faraone, Antoniou National Institute of Standards and Technology (NIST)4 aut
7001 a Karlsson, Maths,d 1978u Chalmers tekniska högskola,Chalmers University of Technology4 aut0 (Swepub:cth)maths
7102 a Chalmers tekniska högskolab Institutionen för material- och miljökemi (MMK)4 org
7730 t The Journal of Physical Chemistry Cd : American Chemical Society (ACS)g 123:4, s. 2019-2030q 123:4<2019-2030x 1932-7447x 1932-7455
8564 8u https://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-166779
8564 8u https://doi.org/10.1021/acs.jpcc.8b08451
8564 8u https://research.chalmers.se/publication/508757

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