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Journal Articles

Cu/ZnO catalysts integrated with Al$$_{2}$$O$$_{3}$$ and/or SiO$$_{2}$$ for methanol synthesis; Deciphering the additive-induced boost in catalytic performance by XAFS

Iwasaki, Kosei*; Ashida, Yuya*; Matsumura, Daiju; Kawakami, Kotaro*; Shibuya, Kana*; Tazawa, Masaru*; Tsuji, Takuya; Shimizu, Hajime*

Journal of CO$$_{2}$$ Utilization, 97, p.103111_1 - 103111_9, 2025/07

 Times Cited Count:2 Percentile:69.11(Chemistry, Multidisciplinary)

Journal Articles

Neutron powder diffraction and difference maximum entropy method analysis of protium- and deuterium-dissolved BaSn$$_{0.5}$$In$$_{0.5}$$O$$_{2.75+alpha}$$

Nagasaki, Takanori*; Shiotani, Shinya*; Igawa, Naoki; Yoshino, Masahito*; Iwasaki, Kota*; Fukazawa, Hiroshi; Utsumi, Wataru

Journal of Solid State Chemistry, 182(10), p.2632 - 2639, 2009/10

 Times Cited Count:8 Percentile:29.47(Chemistry, Inorganic & Nuclear)

We propose a new method, a difference maximum entropy method (MEM) analysis of the neutron diffraction data, for revealing the detailed structure around hydrogen atoms in proton-conducting oxides. This MEM analysis uses the differences between the structure factors of protium- and deuterium-dissolved crystals. Simulations demonstrate that it not only provides the distribution of hydrogen atoms alone, but also improves the spatial resolution of MEM mapping around hydrogen atoms. Applied to actual diffraction data of protium- and deuterium-dissolved BaSn$$_{0.5}$$In$$_{0.5}$$O$$_{2.75+alpha}$$ at 9 K, difference MEM analysis reveals that O-D bonds mostly tilt towards the second nearest oxygen atoms, and that the distributions of deuterium and oxygen atoms are probably insignificant in interstitial regions.

Journal Articles

Location of deuterium atoms in BaZr$$_{0.5}$$In$$_{0.5}$$O$$_{2.75+alpha}$$ by neutron powder diffraction

Nagasaki, Takanori*; Ito, Tsuyoshi*; Yoshino, Masahito*; Iwasaki, Kota*; Shiotani, Shinya*; Fukazawa, Hiroshi; Igawa, Naoki; Ishii, Yoshinobu*

Journal of Nuclear Science and Technology, 45(Suppl.6), p.122 - 127, 2008/09

 Times Cited Count:5 Percentile:33.08(Nuclear Science & Technology)

The neutron powder diffraction measurement was carried out at 10 K on the proton-conducting oxide BaZr$$_{0.5}$$In$$_{0.5}$$O$$_{2.75+alpha}$$ with and without dissolved D$$_{2}$$O. Obtained diffraction data were analyzed by the Rietveld method and the maximum entropy method. It was found that deuterium atoms were located close the 12$$h$$ site of the cubic perovskite structure with the space group ${it Pm}$-$$overline{3}$$${it m}$.

Journal Articles

Location of deuterium atoms in BaSn$$_{0.5}$$In$$_{0.5}$$O$$_{2.75+alpha}$$ at 77-473 K by neutron powder diffraction

Ito, Tsuyoshi*; Nagasaki, Takanori*; Iwasaki, Kota*; Yoshino, Masahito*; Matsui, Tsuneo*; Fukazawa, Hiroshi; Igawa, Naoki; Ishii, Yoshinobu

Solid State Ionics, 178(7-10), p.607 - 613, 2007/04

 Times Cited Count:7 Percentile:33.76(Chemistry, Physical)

no abstracts in English

Journal Articles

Location of deuterium atoms in BaSn$$_{0.5}$$In$$_{0.5}$$O$$_{2.75+alpha}$$ by neutron powder diffraction at 10 K

Ito, Tsuyoshi*; Nagasaki, Takanori*; Iwasaki, Kota*; Yoshino, Masahito*; Matsui, Tsuneo*; Igawa, Naoki; Ishii, Yoshinobu

Solid State Ionics, 178(1-2), p.13 - 17, 2007/01

 Times Cited Count:21 Percentile:63.34(Chemistry, Physical)

no abstracts in English

Journal Articles

The Determination of deuteron site in SrZr$$_{0.95}$$Sc$$_{0.05}$$O$$_{3-alpha}$$ by neutron powder diffraction

Ito, Tsuyoshi*; Nagasaki, Takanori*; Iwasaki, Kota*; Yoshino, Masahito*; Matsui, Tsuneo*; Igawa, Naoki; Ishii, Yoshinobu

Solid State Ionics, 177(26-32), p.2353 - 2356, 2006/10

 Times Cited Count:11 Percentile:45.61(Chemistry, Physical)

no abstracts in English

Journal Articles

Effect of high burn-up and MOX fuel on reprocessing, vitrification and disposal of PWR and BWR spent fuels based on accurate burn-up calculation

Yoshikawa, Takamichi*; Iwasaki, Tomohiko*; Wada, Kotaro*; Suyama, Kenya

Proceedings of American Nuclear Society Topical Meeting on Physics of Reactors (PHYSOR 2006) (CD-ROM), 8 Pages, 2006/09

To examine the procedures of the reprocessing, the vitrification and the geologic disposal, precise burn-up calculation for high burn-up and MOX fuels has been performed for not only PWR but also BWR by using SWAT and SWAT2 codes which are the integrated burn-up calculation code systems combined with the burn-up calculation code, ORIGEN2, and the transport calculation code, SRAC (the collision probability method) or MVP (the continuous energy Monte Carlo method), respectively. The calculation results shows that all of the evaluated items (heat generation and concentrations of Mo and Pt) largely increase and those significantly effect to the current procedures of the vitrification and the geologic disposal. The calculation result by SWAT2 confirms that the bundle calculation is required for BWR to be discussed about those effects in details, especially for the MOX fuel.

Oral presentation

Deuteron site in BaSn$$_{0.5}$$In$$_{0.5}$$O$$_{2.75+a}$$ and its change with temperature by neutron powder diffraction

Ito, Tsuyoshi*; Nagasaki, Takanori*; Iwasaki, Kota*; Yoshino, Masahito*; Matsui, Tsuneo*; Fukazawa, Hiroshi; Igawa, Naoki; Ishii, Yoshinobu

no journal, , 

no abstracts in English

Oral presentation

CRIEPI-JAEA collaborative study; Study on hydrogeological and mass transport property of rock mass in and around the Mizunami Underground Research Laboratory

Tanaka, Yasuharu*; Nohara, Shintaro*; Hasegawa, Takuma*; Yata, Kotaro*; Hama, Katsuhiro; Iwasaki, Riyo

no journal, , 

no abstracts in English

Oral presentation

Location of deuterium atoms in BaSn$$_{0.5}$$In$$_{0.5}$$O$$_{2.75}$$-D$$_{2}$$O by neutron powder diffraction at 10 K, 1

Ito, Tsuyoshi*; Nagasaki, Takanori*; Iwasaki, Kota*; Yoshino, Masahito*; Matsui, Tsuneo*; Fukazawa, Hiroshi; Igawa, Naoki; Ishii, Yoshinobu

no journal, , 

no abstracts in English

Oral presentation

Location of deuterium atoms in BaSn$$_{0.5}$$In$$_{0.5}$$O$$_{2.75}$$-D$$_{2}$$O at 77-473 K by neutron powder diffraction, 2

Ito, Tsuyoshi*; Nagasaki, Takanori*; Iwasaki, Kota*; Yoshino, Masahito*; Matsui, Tsuneo*; Fukazawa, Hiroshi; Igawa, Naoki; Ishii, Yoshinobu

no journal, , 

no abstracts in English

Oral presentation

Neutron powder diffraction and difference MEM analysis of D$$_{2}$$O- and H$$_{2}$$O-dissolved Ba(Sn,In)O$$_{3}$$ proton conductors, 1; Theoretical basis and spatial resolution of difference MEM analysis

Nagasaki, Takanori*; Shiotani, Shinya*; Igawa, Naoki; Iwasaki, Kota*; Yoshino, Masahito*; Fukazawa, Hiroshi; Utsumi, Wataru

no journal, , 

We propose a new method, a difference maximum entropy method (MEM) analysis of the neutron diffraction data, for revealing the detailed structure around hydrogen atoms in proton-conducting oxides. This MEM analysis uses the difference between the structure factors of D$$_{2}$$O- and H$$_{2}$$O- dissolved crystals. Simulation for Ba(Sn,In)O$$_{3}$$ -D$$_{2}$$O/H$$_{2}$$O demonstrate that it not only provides the distribution of hydrogen atoms alone, but also improves the spatial resolution of MEM mapping around hydrogen atoms.

Oral presentation

Neutron powder diffraction and difference MEM analysis of D$$_{2}$$O- and H$$_{2}$$O-dissolved Ba(Sn,In)O$$_{3}$$ proton conductors, 2; Application to actual data and its evaluation

Shiotani, Shinya*; Nagasaki, Takanori*; Igawa, Naoki; Iwasaki, Kota*; Yoshino, Masahito*; Fukazawa, Hiroshi; Utsumi, Wataru

no journal, , 

A difference maximum entropy method (MEM) analysis was applied to actual neutron powder diffraction data of D$$_{2}$$O- and H$$_{2}$$O- dissolved Ba(Sn,In)O$$_{3}$$. It was found that a difference MEM analysis provided to be effective to improve the spatial resolution of MEM mapping for the structure around hydrogen atoms.

Oral presentation

Location of deuterium atoms in perovskite-type oxide by neutron powder diffraction at 10 K

Ito, Tsuyoshi*; Nagasaki, Takanori*; Iwasaki, Kota*; Yoshino, Masahito*; Matsui, Tsuneo*; Igawa, Naoki; Ishii, Yoshinobu

no journal, , 

no abstracts in English

14 (Records 1-14 displayed on this page)
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