On the symmetry of defects in perovskite-type protonic conductors:A Sc-45 NMR study

Itaru Oikawa; Mariko Ando; Hajime Kiyono; Masataka Tansho; Tadashi Shimizu; Hideki Maekawa

doi:10.1016/j.ssi.2011.06.009

On the symmetry of defects in perovskite-type protonic conductors:A Sc-45 NMR study

Itaru Oikawa, Mariko Ando, Hajime Kiyono, Masataka Tansho, Tadashi Shimizu, Hideki Maekawa

ENG - Materials Science

Research output: Contribution to journal › Article › peer-review

18 Citations (Scopus)

Abstract

Sc doped perovskite-type protonic conductors were investigated by Sc-45 nuclear magnetic resonance (NMR), focusing on the local coordination environment around the dopant cation. Peaks observed in Sc-45 NMR spectra were assigned to 5-coordinated Sc with one oxygen vacancy (ScO ₅), 6-coordinated Sc (ScO ₆) and 6-coordinated Sc with a proton residing in its vicinity (ScO ₆-H). Quadrupole coupling constant, C _Q, which is sensitive to local coordination environment of the probe nucleus was determined for ScO ₅. C _Q of ScO ₅ decreased with decreasing the tolerance factor of the host lattice, indicating the distortion from cubic perovskite structure results in lower C _Q of ScO ₅. This result suggests ScO ₅ polyhedra have tendency to become more isotropic with the distortion of the lattice. The oxygen vacancy concentration around Sc determined from integral intensities of NMR spectra was higher in isotropic ScO ₅ polyhedra.

Original language	English
Pages (from-to)	14-17
Number of pages	4
Journal	Solid State Ionics
Volume	213
DOIs	https://doi.org/10.1016/j.ssi.2011.06.009
Publication status	Published - 2012 Apr 16

Keywords

Local environment
Perovskite
Protonic conductor
Sc-45 NMR

ASJC Scopus subject areas

Chemistry(all)
Materials Science(all)
Condensed Matter Physics

Access to Document

10.1016/j.ssi.2011.06.009

Cite this

@article{ca8aac20816a4dc4bc4df7cbccd04557,

title = "On the symmetry of defects in perovskite-type protonic conductors:A Sc-45 NMR study",

abstract = "Sc doped perovskite-type protonic conductors were investigated by Sc-45 nuclear magnetic resonance (NMR), focusing on the local coordination environment around the dopant cation. Peaks observed in Sc-45 NMR spectra were assigned to 5-coordinated Sc with one oxygen vacancy (ScO 5), 6-coordinated Sc (ScO 6) and 6-coordinated Sc with a proton residing in its vicinity (ScO 6-H). Quadrupole coupling constant, C Q, which is sensitive to local coordination environment of the probe nucleus was determined for ScO 5. C Q of ScO 5 decreased with decreasing the tolerance factor of the host lattice, indicating the distortion from cubic perovskite structure results in lower C Q of ScO 5. This result suggests ScO 5 polyhedra have tendency to become more isotropic with the distortion of the lattice. The oxygen vacancy concentration around Sc determined from integral intensities of NMR spectra was higher in isotropic ScO 5 polyhedra.",

keywords = "Local environment, Perovskite, Protonic conductor, Sc-45 NMR",

author = "Itaru Oikawa and Mariko Ando and Hajime Kiyono and Masataka Tansho and Tadashi Shimizu and Hideki Maekawa",

note = "Funding Information: T.S. acknowledges Grants-in-Aid for Scientific Research from JSPS . We appreciate the Nanotechnology Support Project of the Ministry of Education, Culture, Sports, Science and Technology (MEXT) of Japan. We also acknowledge technical support from Tsukuba Magnet Laboratory. Funding Information: H.M. wishes to express his sincere gratitude for the financial support provided by CREST, JST under “Novel Measuring and Analytical Technology Contributions to the Elucidation and Application of Materials.”, KAKENHI “(Grant No. 21360314 )” MEXT, Japan , and the NEDO project, “Advanced Fundamental Research on Hydrogen Storage Materials (HYDRO STAR).”",

year = "2012",

month = apr,

day = "16",

doi = "10.1016/j.ssi.2011.06.009",

language = "English",

volume = "213",

pages = "14--17",

journal = "Solid State Ionics",

issn = "0167-2738",

publisher = "Elsevier",

}

TY - JOUR

T1 - On the symmetry of defects in perovskite-type protonic conductors:A Sc-45 NMR study

AU - Oikawa, Itaru

AU - Ando, Mariko

AU - Kiyono, Hajime

AU - Tansho, Masataka

AU - Shimizu, Tadashi

AU - Maekawa, Hideki

N1 - Funding Information: T.S. acknowledges Grants-in-Aid for Scientific Research from JSPS . We appreciate the Nanotechnology Support Project of the Ministry of Education, Culture, Sports, Science and Technology (MEXT) of Japan. We also acknowledge technical support from Tsukuba Magnet Laboratory. Funding Information: H.M. wishes to express his sincere gratitude for the financial support provided by CREST, JST under “Novel Measuring and Analytical Technology Contributions to the Elucidation and Application of Materials.”, KAKENHI “(Grant No. 21360314 )” MEXT, Japan , and the NEDO project, “Advanced Fundamental Research on Hydrogen Storage Materials (HYDRO STAR).”

PY - 2012/4/16

Y1 - 2012/4/16

N2 - Sc doped perovskite-type protonic conductors were investigated by Sc-45 nuclear magnetic resonance (NMR), focusing on the local coordination environment around the dopant cation. Peaks observed in Sc-45 NMR spectra were assigned to 5-coordinated Sc with one oxygen vacancy (ScO 5), 6-coordinated Sc (ScO 6) and 6-coordinated Sc with a proton residing in its vicinity (ScO 6-H). Quadrupole coupling constant, C Q, which is sensitive to local coordination environment of the probe nucleus was determined for ScO 5. C Q of ScO 5 decreased with decreasing the tolerance factor of the host lattice, indicating the distortion from cubic perovskite structure results in lower C Q of ScO 5. This result suggests ScO 5 polyhedra have tendency to become more isotropic with the distortion of the lattice. The oxygen vacancy concentration around Sc determined from integral intensities of NMR spectra was higher in isotropic ScO 5 polyhedra.

AB - Sc doped perovskite-type protonic conductors were investigated by Sc-45 nuclear magnetic resonance (NMR), focusing on the local coordination environment around the dopant cation. Peaks observed in Sc-45 NMR spectra were assigned to 5-coordinated Sc with one oxygen vacancy (ScO 5), 6-coordinated Sc (ScO 6) and 6-coordinated Sc with a proton residing in its vicinity (ScO 6-H). Quadrupole coupling constant, C Q, which is sensitive to local coordination environment of the probe nucleus was determined for ScO 5. C Q of ScO 5 decreased with decreasing the tolerance factor of the host lattice, indicating the distortion from cubic perovskite structure results in lower C Q of ScO 5. This result suggests ScO 5 polyhedra have tendency to become more isotropic with the distortion of the lattice. The oxygen vacancy concentration around Sc determined from integral intensities of NMR spectra was higher in isotropic ScO 5 polyhedra.

KW - Local environment

KW - Perovskite

KW - Protonic conductor

KW - Sc-45 NMR

UR - http://www.scopus.com/inward/record.url?scp=84859425729&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84859425729&partnerID=8YFLogxK

U2 - 10.1016/j.ssi.2011.06.009

DO - 10.1016/j.ssi.2011.06.009

M3 - Article

AN - SCOPUS:84859425729

VL - 213

SP - 14

EP - 17

JO - Solid State Ionics

JF - Solid State Ionics

SN - 0167-2738

ER -

On the symmetry of defects in perovskite-type protonic conductors:A Sc-45 NMR study

Abstract

Keywords

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this