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Journal Articles

Crystalline fully carboxylated polyacetylene obtained under high pressure as a Li-ion battery anode material

Wang, X.*; Tang, X.*; Zhang, P.*; Wang, Y.*; Gao, D.*; Liu, J.*; Hui, K.*; Wang, Y.*; Dong, X.*; Hattori, Takanori; et al.

Journal of Physical Chemistry Letters (Internet), 12(50), p.12055 - 12061, 2021/12

Substituted polyacetylene is expected to improve the chemical stability, physical properties, and additional functions of the polyacetylene backbones, but its diversity is very limited. Here, by applying external pressure on solid acetylenedicarboxylic acid, we report the first crystalline poly-dicarboxylacetylene with every carbon on the trans-polyacetylene backbone bonded to a carboxyl group, which is very hard to synthesize by traditional methods. This unique structure combines the extremely high content of carbonyl groups and high conductivity of a polyacetylene backbone, which exhibits a high specific capacity and excellent cycling/rate performance as a Li-ion battery (LIB) anode. We present a completely functionalized crystalline polyacetylene and provide a high-pressure solution for the synthesis of polymeric LIB materials and other polymeric materials with a high content of active groups.

Journal Articles

Magnetic structure of short-range ordering in intermetallic antiferromagnet Mn$$_3$$RhSi

Kodama, Katsuaki; Honda, Takashi*; Yamauchi, Hiroki; Shamoto, Shinichi*; Ikeda, Kazutaka*; Otomo, Toshiya*

Journal of the Physical Society of Japan, 90(7), p.074710_1 - 074710_7, 2021/07

 Times Cited Count:0 Percentile:0(Physics, Multidisciplinary)

Journal Articles

Magnetic pair distribution function of spin-glass system Mn$$_{0.5}$$Fe$$_{0.5}$$TiO$$_3$$

Kodama, Katsuaki; Honda, Takashi*; Ikeda, Kazutaka*; Shamoto, Shinichi; Otomo, Toshiya*

JPS Conference Proceedings (Internet), 33, p.011059_1 - 011059_6, 2021/03

Journal Articles

Local- and intermediate-range order in room temperature superionic conducting Ag-GeSe$$_{3}$$ glasses

Hosokawa, Shinya*; Kawakita, Yukinobu; Stellhorn, J. R.*; Pusztai, L.*; Blanc, N.*; Boudet, N.*; Ikeda, Kazutaka*; Otomo, Toshiya*

JPS Conference Proceedings (Internet), 33, p.011070_1 - 011070_7, 2021/03

Local- and intermediate-range atomic order in Ag ion conducting glasses Ag$$_{x}$$(GeSe$$_{3}$$)$$_{1-x}$$ with x = 0.15, 0.28, 0.33, and 0.50 were investigated by using a combination of AXS, XRD, ND, and RMC modeling. By adding the ND pdf to AXS and XRD results, reasonable partial structure factors and partial pdf were obtained by the RMC procedure. In contrast to the previous AXS and RMC study, a large number of Ag-Ge and Ge-Ge correlations are observed in the first coordination shell region, which is consistent with an ${it ab initio}$ MD simulation. The coordination numbers around the Ge and Se mostly follow the 8-$$N$$ rule over all Ag concentrations if Ag is not taken into account. With increasing the Ag concentration, the partial coordination numbers with Ge and Se atoms around Ag remarkably increases, while the Ag-Ag coordination number increases only slightly, indicating that the Ag conducting path is formed through the second neighboring Ag-Ag correlations.

Journal Articles

Detailed investigations on short- and intermediate-range structures of Ge-Se glasses near the stiffness transition composition

Hosokawa, Shinya*; Kawakita, Yukinobu; Pusztai, L.*; Ikeda, Kazutaka*; Otomo, Toshiya*

Journal of the Physical Society of Japan, 90(2), p.024601_1 - 024601_12, 2021/02

 Times Cited Count:0 Percentile:0(Physics, Multidisciplinary)

Journal Articles

Distance-selected topochemical dehydro-diels-alder reaction of 1,4-Diphenylbutadiyne toward crystalline graphitic nanoribbons

Zhang, P.*; Tang, X.*; Wang, Y.*; Wang, X.*; Gao, D.*; Li, Y.*; Zheng, H.*; Wang, Y.*; Wang, X.*; Fu, R.*; et al.

Journal of the American Chemical Society, 142(41), p.17662 - 17669, 2020/10

 Times Cited Count:6 Percentile:75.63(Chemistry, Multidisciplinary)

Solid-state topochemical polymerization (SSTP) is a promising method to construct functional crystalline polymeric materials, but in contrast to various reactions that happen in solution, only very limited types of SSTP reactions are reported. Diels-Alder (DA) and dehydro-DA (DDA) reactions are textbook reactions for preparing six-membered rings in solution but are scarcely seen in solid-state synthesis. Here, using multiple cutting-edge techniques, we demonstrate that the solid 1,4-diphenylbutadiyne (DPB) undergoes a DDA reaction under 10-20 GPa with the phenyl as the dienophile. The crystal structure at the critical pressure shows that this reaction is "distance-selected". The distance of 3.2${AA}$ between the phenyl and the phenylethynyl facilitates the DDA reaction, while the distances for other DDA and 1,4-addition reactions are too large to allow the bonding. The obtained products are crystalline armchair graphitic nanoribbons, and hence our studies open a new route to construct the crystalline carbon materials with atomic-scale control.

Journal Articles

Development and application of a $$^3$$He neutron spin filter at J-PARC

Okudaira, Takuya; Oku, Takayuki; Ino, Takashi*; Hayashida, Hirotoshi*; Kira, Hiroshi*; Sakai, Kenji; Hiroi, Kosuke; Takahashi, Shingo*; Aizawa, Kazuya; Endo, Hitoshi*; et al.

Nuclear Instruments and Methods in Physics Research A, 977, p.164301_1 - 164301_8, 2020/10

 Times Cited Count:4 Percentile:76.41(Instruments & Instrumentation)

Journal Articles

Strong lattice anharmonicity exhibited by the high-energy optical phonons in thermoelectric material

Wu, P.*; Fan, F.-R.*; Hagihara, Masato*; Kofu, Maiko; Peng, K.*; Ishikawa, Yoshihisa*; Lee, S.*; Honda, Takashi*; Yonemura, Masao*; Ikeda, Kazutaka*; et al.

New Journal of Physics (Internet), 22(8), p.083083_1 - 083083_9, 2020/08

 Times Cited Count:2 Percentile:51.78(Physics, Multidisciplinary)

Thermoelectric material SnSe has aroused world-wide interests in the past years, and its inherent strong lattice anharmonicity is regarded as a crucial factor for its outstanding thermoelectric performance. However, the understanding of lattice anharmonicity in SnSe system remains inadequate, especially regarding how phonon dynamics are affected by this behavior. In this work, we present a comprehensive study of lattice dynamics on Na$$_{0.003}$$Sn$$_{0.997}$$Se$$_{0.9}$$S$$_{0.1}$$ by means of neutron total scattering, inelastic neutron scattering, Raman spectroscopy as well as frozen-phonon calculations. Lattice anharmonicity is evidenced by pair distribution function, inelastic neutron scattering and Raman measurements. By separating the effects of thermal expansion and multi-phonon scattering, we found that the latter is very significant in high-energy optical phonon modes. The strong temperature-dependence of these phonon modes indicate the anharmonicity in this system. Moreover, our data reveals that the linewidths of high-energy optical phonons become broadened with mild doping of sulfur. Our studies suggest that the thermoelectric performance of SnSe could be further enhanced by reducing the contributions of high-energy optical phonon modes to the lattice thermal conductivity via phonon engineering.

Journal Articles

Ultralow thermal conductivity from transverse acoustic phonon suppression in distorted crystalline $$alpha$$-MgAgSb

Li, X.*; Liu, P.-F.*; Zhao, E.*; Zhang, Z.*; Guide, T.*; Le, M. D.*; Avdeev, M.*; Ikeda, Kazutaka*; Otomo, Toshiya*; Kofu, Maiko; et al.

Nature Communications (Internet), 11(1), p.942_1 - 942_9, 2020/02

 Times Cited Count:15 Percentile:93.25(Multidisciplinary Sciences)

In high-performance thermoelectric materials, there are two main low thermal conductivity mechanisms: the phonon anharmonic and phonon scattering resulting from the dynamic disorder, which have been successfully revealed by inelastic neutron scattering. Using neutron scattering and ab initio calculations, we report here a mechanism of static local structure distortion combined with phonon-anharmonic-induced ultralow lattice thermal conductivity in $$alpha$$-MgAgSb. Since the transverse acoustic phonons are almost fully scattered by the intrinsic distorted rocksalt sublattice in this compound, the heat is mainly transported by the longitudinal acoustic phonons. The ultralow thermal conductivity in $$alpha$$-MgAgSb is attributed to its atomic dynamics being altered by the structure distortion, which presents a possible microscopic route to enhance the performance of similar thermoelectric materials.

Journal Articles

Structural and electrochemical features of (Li$$_{2}$$S)$$_{x}$$(SiS$$_{2}$$)$$_{100-x}$$ superionic glasses

Mori, Kazuhiro*; Iwase, Kenji*; Oba, Yojiro; Ikeda, Kazutaka*; Otomo, Toshiya*; Fukunaga, Toshiharu*

Solid State Ionics, 344, p.115141_1 - 115141_10, 2020/01

 Times Cited Count:0 Percentile:0(Chemistry, Physical)

no abstracts in English

Journal Articles

Highlight of recent sample environment at J-PARC MLF

Kawamura, Seiko; Hattori, Takanori; Harjo, S.; Ikeda, Kazutaka*; Miyata, Noboru*; Miyazaki, Tsukasa*; Aoki, Hiroyuki; Watanabe, Masao; Sakaguchi, Yoshifumi*; Oku, Takayuki

Neutron News, 30(1), p.11 - 13, 2019/05

In Japanese neutron scattering facilities, some SE equipment that are frequently used at an instrument, such as the closed-cycle refrigerator (CCR), have been prepared for the instrument as standard SE. They are operated for user experiments by the instrument group. The advantage of this practice is that they can optimize the design of the SE for the instrument and can directly respond to users' requests. On the other hand, the SE team in the Materials and Life Science Experimental Facility (MLF) in J-PARC has managed commonly used SE to allow neutron experiments with more advanced SE. In this report, recent SE in the MLF is introduced. Highlighted are the SE in BL11, BL19, BL21 and BL17 and other SE recently progressed by the SE team.

Journal Articles

Nanoscale ice-type structural fluctuation in spinel titanates

Torigoe, Shuhei*; Hattori, Takayuki*; Kodama, Katsuaki; Honda, Takashi*; Sagayama, Hajime*; Ikeda, Kazutaka*; Otomo, Toshiya*; Nitani, Hiroaki*; Abe, Hitoshi*; Murakawa, Hiroshi*; et al.

Physical Review B, 98(13), p.134443_1 - 134443_7, 2018/10

 Times Cited Count:2 Percentile:16.65(Materials Science, Multidisciplinary)

Journal Articles

Elastic and dynamical structural properties of La and Mn-doped SrTiO$$_{3}$$ studied by neutron scattering and their relation with thermal conductivities

Kajimoto, Ryoichi; Nakamura, Mitsutaka; Murai, Naoki; Shamoto, Shinichi; Honda, Takashi*; Ikeda, Kazutaka*; Otomo, Toshiya*; Hata, Hiroto*; Eto, Takahiro*; Noda, Masaaki*; et al.

Scientific Reports (Internet), 8(1), p.9651_1 - 9651_8, 2018/06

 Times Cited Count:4 Percentile:32.16(Multidisciplinary Sciences)

Journal Articles

Alternative equation on magnetic pair distribution function for quantitative analysis

Kodama, Katsuaki; Ikeda, Kazutaka*; Shamoto, Shinichi; Otomo, Toshiya*

Journal of the Physical Society of Japan, 86(12), p.124708_1 - 124708_8, 2017/12

 Times Cited Count:4 Percentile:44.41(Physics, Multidisciplinary)

Journal Articles

Materials and Life Science Experimental Facility (MLF) at the Japan Proton Accelerator Research Complex, 2; Neutron scattering instruments

Nakajima, Kenji; Kawakita, Yukinobu; Ito, Shinichi*; Abe, Jun*; Aizawa, Kazuya; Aoki, Hiroyuki; Endo, Hitoshi*; Fujita, Masaki*; Funakoshi, Kenichi*; Gong, W.*; et al.

Quantum Beam Science (Internet), 1(3), p.9_1 - 9_59, 2017/12

The neutron instruments suite, installed at the spallation neutron source of the Materials and Life Science Experimental Facility (MLF) at the Japan Proton Accelerator Research Complex (J-PARC), is reviewed. MLF has 23 neutron beam ports and 21 instruments are in operation for user programs or are under commissioning. A unique and challenging instrumental suite in MLF has been realized via combination of a high-performance neutron source, optimized for neutron scattering, and unique instruments using cutting-edge technologies. All instruments are/will serve in world-leading investigations in a broad range of fields, from fundamental physics to industrial applications. In this review, overviews, characteristic features, and typical applications of the individual instruments are mentioned.

JAEA Reports

Investigation and measures of abnormal events of helium refrigerator for cryogenic hydrogen system at J-PARC

Aso, Tomokazu; Teshigawara, Makoto; Hasegawa, Shoichi; Aoyagi, Katsuhiro*; Muto, Hideki*; Nomura, Kazutaka*; Takada, Hiroshi; Ikeda, Yujiro

JAEA-Technology 2017-021, 75 Pages, 2017/08

JAEA-Technology-2017-021.pdf:33.03MB

Liquid hydrogen is employed as a cold neutron moderator material at the spallation neutron source of Materials and Life science experimental Facility of Japan Proton Accelerator Research Complex (J-PARC). From January 2015, it became observable that the differential pressure between heat exchangers and an 80 K adsorber (ADS) in a helium refrigerator system increased with operating time. In November 2015, the differential pressure rise became more significant, leading to degrade the refrigerating performance in cooling liquid hydrogen. In order to investigate the cause of the abnormal differential pressure rise between the heat exchangers and the ADS, we carried out visual inspection inside the heat exchangers and analyzed the impurities contained in the helium gas. Unfortunately, we could not identify the impurities causing the performance degradation, but observed a trace of oil in the inlet piping of the heat exchanger. Based on investigations of the abnormal events occurred in the refrigerators with similar refrigerating capacity at other facilities, we took measures that cleaning the heat exchangers with Freon and replacing the ADS with new one. As a result, the differential pressure rise phenomenon was removed to recover the performance. We have detected oil from the Freon used for cleaning the heat exchangers and at a felt supporting charcoal packed in the ADS. In particular, oil was accumulated in membranous form onto the felt at the entrance side in the ADS. The amount of oil contained in the helium gas was about 10 ppb or so, less than the design value, in the helium refrigerator. However, the oil accumulated onto the felt in the ADS through long operating period may cause abnormal differential pressure rise, leading to the performance degradation of the helium refrigerator. Further study is needed to specify the cause more clearly.

Journal Articles

Local structural analysis of half-metallic ferromagnet CrO$$_2$$

Kodama, Katsuaki; Ikeda, Kazutaka*; Isobe, Masahiko*; Takeda, Hikaru*; Ito, Masayuki*; Ueda, Yutaka*; Shamoto, Shinichi; Otomo, Toshiya*

Journal of the Physical Society of Japan, 85(9), p.094709_1 - 094709_5, 2016/09

 Times Cited Count:1 Percentile:13.94(Physics, Multidisciplinary)

Journal Articles

Observation of momentum-resolved charge fluctuations proximate to the charge-order phase using resonant inelastic X-ray scattering

Yoshida, Masahiro*; Ishii, Kenji; Naka, Makoto*; Ishihara, Sumio*; Jarrige, I.*; Ikeuchi, Kazuhiko*; Murakami, Yoichi*; Kudo, Kazutaka*; Koike, Yoji*; Nagata, Tomoko*; et al.

Scientific Reports (Internet), 6, p.23611_1 - 23611_8, 2016/03

 Times Cited Count:0 Percentile:0(Multidisciplinary Sciences)

Journal Articles

Observation of all-in type tetrahedral displacements in nonmagnetic pyrochlore niobates

Torigoe, Shuhei*; Ishimoto, Yutaro*; Aoishi, Yuhei*; Murakawa, Hiroshi*; Matsumura, Daiju; Yoshii, Kenji; Yoneda, Yasuhiro; Nishihata, Yasuo; Kodama, Katsuaki; Tomiyasu, Keisuke*; et al.

Physical Review B, 93(8), p.085109_1 - 085109_5, 2016/02

 Times Cited Count:4 Percentile:26.78(Materials Science, Multidisciplinary)

Journal Articles

Local lattice distortion caused by short-range charge ordering in transition metal oxides

Kodama, Katsuaki; Igawa, Naoki; Shamoto, Shinichi; Ikeda, Kazutaka*; Oshita, Hidetoshi*; Kaneko, Naokatsu*; Otomo, Toshiya*; Suzuya, Kentaro; Hoshikawa, Akinori*; Ishigaki, Toru*

JPS Conference Proceedings (Internet), 8, p.034002_1 - 034002_6, 2015/09

69 (Records 1-20 displayed on this page)