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Journal Articles

Crystal structure and lattice vibration of proton dissolved BaZr$$_{0.8}$$Sc$$_{0.2}$$O$$_{2.9}$$

Shimoyama, Tomotaka*; Tojo, Takeo*; Kawaji, Hitoshi*; Atake, Toru*; Fukazawa, Hiroshi; Igawa, Naoki

Solid State Ionics, 180(6-8), p.560 - 562, 2009/05

https://doi.org/10.1016/j.ssi.2008.10.016
 Times Cited Count：6 Percentile：29.51(Chemistry, Physical)

The neutron diffraction of BaZr$$_{0.8}$$Sc$$_{0.2}$$O$$_{2.9}$$ with and without proton were measured and analyzed by Rietveld method and Maximum Entropy Method. We found that the location of proton is 12${it h}$ site near oxygen ion. The heat capacity of sample with proton is larger than that without proton. This difference is discussed in term of the changes of the crystal structure and lattice vibrations due to the dissolution of proton.

Journal Articles

Determination of deuterium location in Ba$$_{3}$$Ca$$_{1.18}$$Nb$$_{1.82}$$O$$_{8.73}$$

Shimoyama, Tomotaka*; Tojo, Takeo*; Kawaji, Hitoshi*; Atake, Toru*; Igawa, Naoki; Ishii, Yoshinobu*

Solid State Ionics, 179(7-8), p.231 - 235, 2008/04

https://doi.org/10.1016/j.ssi.2008.01.064
 Times Cited Count：15 Percentile：54.78(Chemistry, Physical)

The neutron diffraction study was carried out to determine the location of proton conducting mixed perovskite-type oxide Ba$$_{3}$$Ca$$_{1.18}$$Nb$$_{1.82}$$O$$_{8.73}$$ at 300K. The obtained data have been analyzed by the Rietveld method and the maximum entropy method. The crystal structure of the sample is refined on the basis of the cubic structure with the space group ${it Fm}$-3${it m}$. We found that oxide ion locates at 24${it e}$ site and deuterium 96${it j}$ site, respectively. The distance between oxide ion and deuterium sites is about 0.72${AA}$, which is shorter than the normal distance of OD group. The oxygen in OD group is shifted from 24${it e}$ site slightly toward the opposite side of deuterium and the deuterium is shifted to the Ca/Nb mixed site.

Journal Articles

Crystal structure and heat capacity of Ba$$_{3}$$Ca$$_{1.18}$$Nb$$_{1.82}$$O$$_{8.73}$$

Shimoyama, Tomotaka*; Sagiya, Jun*; Tojo, Takeo*; Kawaji, Hitoshi*; Atake, Toru*; Igawa, Naoki; Ishii, Yoshinobu

Proceedings of 10th Asian Conference on Solid State Ionics, p.201 - 205, 2006/00

no abstracts in English

JAEA Reports

Synthesis of high-quality methane hydrate

Igawa, Naoki; Ishii, Yoshinobu; Hoshikawa, Akinori; Yamauchi, Hiroki; Shimoyama, Tomotaka

JAERI-Tech 2004-067, 23 Pages, 2004/11

JAERI-Tech-2004-067.pdf:5.88MB

We synthesized methane hydrate using fine grain ice. The amount of released-gas volume was the same as calculated one for ideal methane hydrate within experimental precision. The neutron diffraction measurement was conducted by means of a high-resolution powder diffractometer (HRPD) installed at JRR-3. No reflection line from the impurities and ice was found in the diffraction pattern. Therefore, the synthesized methane hydrate proved to be very high quality. We also showed the scattering density map of this sample using Rietveld analysis and the maximum entropy method (MEM).

Oral presentation

Proton conducting pass in Ba$$_{3}$$Ca$$_{1.18}$$Nb$$_{1.82}$$O$$_{8.73}$$

Shimoyama, Tomotaka*; Tojo, Takeo*; Kawaji, Hitoshi*; Atake, Toru*; Igawa, Naoki; Ishii, Yoshinobu

no journal, , 

no abstracts in English

Oral presentation

Change in the crystal structure and lattice vibration by proton dissolution to BaZr$$_{0.8}$$Sc$$_{0.2}$$O$$_{2.9}$$

Shimoyama, Tomotaka*; Tojo, Takeo*; Kawaji, Hitoshi*; Atake, Toru*; Fukazawa, Hiroshi; Igawa, Naoki

no journal, , 

Sc doped BaZrO$$_{3}$$ is one of the canditated materials for solid state proton conductors in the middle temeprature range because of its high proton conducticivity and excellent chemical stability under the humidity. This presentation makes discusion on the crystal structure of BaZr$$_{0.8}$$Sc$$_{0.2}$$O$$_{2.9}$$ with D$$_{2}$$O using Rietveld method and Maximum Entropy method.

Oral presentation

Location of proton and structural relaxation in a perovskite-type proton conductor

Shimoyama, Tomotaka*; Tojo, Takeo*; Kawaji, Hitoshi*; Atake, Toru*; Fukazawa, Hiroshi; Igawa, Naoki

no journal, , 

Proton conductor BaZr$$_{0.8}$$Sc$$_{0.2}$$O$$_{2.9}$$ was synthesized by a solid state reaction method. Neutron diffraction experiments were performed for dried and D$$_{2}$$O dissolute samples at 10 K. The observed data were analyzed by Rietveld method and Maximum Entropy method. It has been clarified that the deuterium exits at 12${it h}$ site. It is founded that the distance between oxide ion site and deuterium site is shorter than the normal distance of O-D.

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