Mn L-edge EXAFS and magnetic EXAFS studies on the halfmetallic ferromagnet CoMnSi

Kogo, Junya*; Fujiwara, Hidenori*; Sekiyama, Akira*; Saito, Yuji; Umetsu, Rie*; Niki, Kaori*

Journal of the Physical Society of Japan, 91(3), p.034702_1 - 034702_12, 2022/03

https://doi.org/10.7566/JPSJ.91.034702

Speciation of cesium in tree tissues and its implication for uptake and translocation of radiocesium in tree bodies

Tanaka, Kazuya; Kanasashi, Tsutomu*; Takenaka, Chisato*; Takahashi, Yoshio*

Science of the Total Environment, 755(Part 2), p.142598_1 - 142598_8, 2021/02

https://doi.org/10.1016/j.scitotenv.2020.142598

In this study, we investigated coordination structures of Cs in Cs-doped bark, sapwood, heartwood, needle, and branch samples of trees collected in Fukushima by extended X-ray absorption fine structure (EXAFS) spectroscopy. We examined four representative tree species in Fukushima, , , , and . EXAFS spectra suggested that Cs was adsorbed as an outer-sphere complex on all parts of the four species, with electrostatic binding to negatively charged functional groups in components of tree tissues. These results were supported by extraction experiments where most of the sorbed Cs was desorbed from all parts of each tree species using 1 M CHCOONH.

Structural characterization of Eu-HONTA complexes by IBIL and EXAFS analyses

Watanabe, So; Sano, Yuichi; Okada, Makoto*; Matsuura, Haruaki*; Hagura, Naoto*; Kada, Wataru*

Nuclear Instruments and Methods in Physics Research B, 477, p.60 - 65, 2020/08

https://doi.org/10.1016/j.nimb.2019.10.004

IBIL and EXAFS analyses were applied on strucutral analysis of Eu complex formed in adsorbent developed for extraction chromatography. Those analyses revealed slight structural difference between adsorbent and solvent systems.

Local structure study of the iron-based systems of BaFeAs and LiFeAs by X-ray PDF and XAFS analyses

Li, S.*; Toyoda, Masayuki*; Kobayashi, Yoshiaki*; Ito, Masayuki*; Ikeuchi, Kazuhiko*; Yoneda, Yasuhiro; Otani, Akira*; Matsumura, Daiju; Asano, Shun*; Mizuki, Junichiro*; et al.

Physica C, 555, p.45 - 53, 2018/12

https://doi.org/10.1016/j.physc.2018.10.003

-dependence of local distortions in BaFeAs and LiFeAs by X-ray PDF and XAFS methods. Although PDF data exhibit anomaly at the structure transition temperature, EXAFS data exhibit no anomaly. Data supporting the local orthorhombicity at 300 K in the tetragonal phase for BaFeAs. Arguments on the origins of the 4-fold symmetry breaking in the ground average structure of the tetragonal phase.

Photo-oxidative doping in -conjugated zig-zag chain of carbon atoms with sulfur-functional group

Ikeura, Hiromi*; Sekiguchi, Tetsuhiro

Applied Physics Letters, 111(23), p.231605_1 - 231605_4, 2017/12

https://doi.org/10.1063/1.4990570

Photo-oxidative doping processes were studied for the trans-polyacetylene (PA) backbone with the -SCH side group as a chemically representative of the S-functionalized zig-zag graphene nanoribbon edge. Sulfur K-edge X-ray absorption near edge structure (XANES) spectroscopy indicates that photochemical reaction of S-CH with atmospheric O forms selectively oxidized products such as -S(O)CH and -SO bound to the (PA) backbone. Using the correlation between the oxidation states of sulfur and the XANES peak positions, the partial charge distribution of CHS -PA has been estimated. The results can provide some strategy for area-selective and controllable doping processes of atomic-scale molecular systems with the assistance of UV light.

Local structure and distribution of remaining elements inside extraction chromatography adsorbents

Watanabe, So; Sano, Yuichi; Shiwaku, Hideaki; Yaita, Tsuyoshi; Ono, Shimpei*; Arai, Tsuyoshi*; Matsuura, Haruaki*; Koka, Masashi*; Sato, Takahiro*

Nuclear Instruments and Methods in Physics Research B, 404, p.202 - 206, 2017/08

https://doi.org/10.1016/j.nimb.2017.01.055

Micro-orientation control of silicon polymer thin films on graphite surfaces modified by heteroatom doping

Shimoyama, Iwao; Baba, Yuji; Hirao, Norie*

Applied Surface Science, 405, p.255 - 266, 2017/05

https://doi.org/10.1016/j.apsusc.2017.01.297

NEXAFS spectroscopy is applied to study orientation structures of polydimethylsilane (PDMS) films deposited on heteroatom-doped graphite substrates prepared by ion beam doping. The Si -edge NEXAFS spectra of PDMS show opposite trends of polarization dependence for non irradiated and N-irradiated substrates, and show no polarization dependence for an Ar-irradiated substrate. Based on a theoretical interpretation of the NEXAFS spectra via first-principles calculations, we clarify that PDMS films have lying, standing, and random orientations on the non irradiated, N-irradiated, and Ar-irradiated substrates, respectively. Furthermore, photoemission electron microscopy indicates that the orientation of a PDMS film can be controlled with microstructures on the order of m by separating irradiated and non irradiated areas on the graphite surface. These results suggest that surface modification of graphite using ion beam doping is useful for micro-orientation control of organic thin films.

Radiation enhanced precipitation of solute atoms in AlCu binary alloys; Energetic ion irradiation experiment and computer simulation

Mayumi, Ren*; Semboshi, Satoshi*; Okamoto, Yoshihiro; Saito, Yuichi*; Yoshiie, Toshimasa*; Iwase, Akihiro*

Transactions of the Materials Research Society of Japan, 42(1), p.9 - 14, 2017/02

https://doi.org/10.14723/tmrsj.42.9

AlCu binary alloys were irradiated with 16 MeV Au, 4.5 MeV Ni or 4.5 MeV Al ions at room temperature. Changes in surface hardness and the local atomic structure around Cu atoms were examined by using the Vickers hardness measurement and the EXAFS measurements, respectively. Some specimens were aged at 453 K and Vickers hardness was measured. The computer simulation was also performed by using the rate equation method. The hardness of irradiated specimens increased much faster than that of the aged specimens and it became larger than the maximum value of the hardness for the aged specimens. The comparison of the experimental EXAFS result with that of FEFF simulation suggests that the ion irradiation produced small Cu precipitates in the specimens. The computer simulation visualized the growth process of Cu precipitates during the irradiation, and the result qualitatively corresponds to the experimental result.

Electronic structures at phosphorus sites doped in graphite; Spectral analysis of P K-edge NEXAFS with DVX calculations

Shimoyama, Iwao; Baba, Yuji

DV-X Kenkyu Kyokai Kaiho, 28(1&2), p.62 - 69, 2016/03

We studied electronic structures at phosphorus sites doped in graphite to clarify the dopant effect on catalytic activity of P-doped graphite using near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. A sample prepared by high-temperature doping at 700 C showed graphite-like clear polarization dependence of P K-edge NEXAFS spectra indicating planar structure at phosphorus sites. We calculated electronic structures at phosphorus sites in carbon model clusters using the DV-X method and compare them with NEXAFS. The electronic structure at planar phosphorus site with three carbon coordination reproduced the NEXAFS spectra. On the other hand, samples prepared by room-temperature doping and post annealing at 800 C showed deterioration of polarization dependence of NEXAFS. We clarified that an electronic structure of a curved carbon model cluster with a pentagon reproduced change of polarization dependence and spectral shape of NEXAFS. This means local structures at phosphorus sites can be controlled by substrate temperatures during ion dopings.

Influence of configuration at dopant sites on catalytic activity of phosphorus-doped graphite

Shimoyama, Iwao; Hakoda, Teruyuki; Shimada, Akihiko; Baba, Yuji

Carbon, 81, p.260 - 271, 2015/01

https://doi.org/10.1016/j.carbon.2014.09.057

The relationship between catalytic activity and local structure at dopant sites of phosphorus-doped graphite prepared by ion implantation was studied by electrochemical measurements and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. The P K-edge NEXAFS spectra of samples doped at room temperature and high temperature showed different polarization dependences, with graphite-like clear polarization dependence observed for the sample prepared by high-temperature doping. NEXAFS spectra were analyzed by density functional theory calculations to reveal the chemical-bonding states of P sites. In electrochemical measurements with an acid solution, samples with relatively small polarization dependence of NEXAFS exhibited marked catalytic activity in oxygen reduction reactions while those with larger polarization dependence showed lower catalytic activity. This indicates the influence of the configuration at dopant sites on catalytic activity and suggests that the introduction of curved structures is one way to design carbon catalysts with high catalytic activity.