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O
and/or SiO
for methanol synthesis; Deciphering the additive-induced boost in catalytic performance by XAFSIwasaki, Kosei*; Ashida, Yuya*; Matsumura, Daiju; Kawakami, Kotaro*; Shibuya, Kana*; Tazawa, Masaru*; Tsuji, Takuya; Shimizu, Hajime*
Journal of CO
Utilization, 97, p.103111_1 - 103111_9, 2025/07
In
O
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
In
O
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.
In
O
by neutron powder diffractionNagasaki, 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
In
O
with and without dissolved D
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
site of the cubic perovskite structure with the space group
-
.
In
O
at 77-473 K by neutron powder diffractionIto, 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
In
O
by neutron powder diffraction at 10 KIto, 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
Sc
O
by neutron powder diffractionIto, 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
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.
In
O
and its change with temperature by neutron powder diffractionIto, Tsuyoshi*; Nagasaki, Takanori*; Iwasaki, Kota*; Yoshino, Masahito*; Matsui, Tsuneo*; Fukazawa, Hiroshi; Igawa, Naoki; Ishii, Yoshinobu
no journal, ,
no abstracts in English
Tanaka, Yasuharu*; Nohara, Shintaro*; Hasegawa, Takuma*; Yata, Kotaro*; Hama, Katsuhiro; Iwasaki, Riyo
no journal, ,
no abstracts in English
In
O
-D
O by neutron powder diffraction at 10 K, 1Ito, Tsuyoshi*; Nagasaki, Takanori*; Iwasaki, Kota*; Yoshino, Masahito*; Matsui, Tsuneo*; Fukazawa, Hiroshi; Igawa, Naoki; Ishii, Yoshinobu
no journal, ,
no abstracts in English
In
O
-D
O at 77-473 K by neutron powder diffraction, 2Ito, Tsuyoshi*; Nagasaki, Takanori*; Iwasaki, Kota*; Yoshino, Masahito*; Matsui, Tsuneo*; Fukazawa, Hiroshi; Igawa, Naoki; Ishii, Yoshinobu
no journal, ,
no abstracts in English
O- and H
O-dissolved Ba(Sn,In)O
proton conductors, 1; Theoretical basis and spatial resolution of difference MEM analysisNagasaki, 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
O- and H
O- dissolved crystals. Simulation for Ba(Sn,In)O
-D
O/H
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.
O- and H
O-dissolved Ba(Sn,In)O
proton conductors, 2; Application to actual data and its evaluationShiotani, 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
O- and H
O- dissolved Ba(Sn,In)O
. 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.
Ito, Tsuyoshi*; Nagasaki, Takanori*; Iwasaki, Kota*; Yoshino, Masahito*; Matsui, Tsuneo*; Igawa, Naoki; Ishii, Yoshinobu
no journal, ,
no abstracts in English