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Publisher Correction: Three-dimensional atomic mapping of ligands on palladium nanoparticles by atom probe tomography

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Nature communications 2021年第1期12卷 5521页

作者： Kyuseon Jang Se-Ho Kim Hosun Jun Chanwon Jung Jiwon Yu Sangheon Lee Pyuck-Pa Choi Department of Materials Science and Engineering Korea Advanced Institute of Science and Technology (KAIST) Daejeon Republic of Korea. Department of Microstructure Physics and Alloy Design Max-Planck-Institut für Eisenforschung GmbH Düsseldorf Germany. Department of Chemical Engineering and Materials Science Ewha Womans University Seoul Republic of Korea. Department of Chemical Engineering and Materials Science Ewha Womans University Seoul Republic of Korea. sang@ewha.ac.kr. Graduate Program in System Health Science and Engineering Ewha Womans University Seoul Republic of Korea. sang@ewha.ac.kr. Department of Materials Science and Engineering Korea Advanced Institute of Science and Technology (KAIST) Daejeon Republic of Korea. p.choi@kaist.ac.kr.

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EMPRESS. XII. Statistics on the Dynamics and Gas Mass Fraction of Extremely-Metal Poor Galaxies

arXiv

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arXiv 2023年

作者： Xu, Yi Ouchi, Masami Isobe, Yuki Nakajima, Kimihiko Ozaki, Shinobu Bouché, Nicolas F. Wise, John H. Emsellem, Eric Kusakabe, Haruka Hattori, Takashi Nagao, Tohru Chiaki, Gen Fukushima, Hajime Harikane, Yuichi Hayashi, Kohei Hirai, Yutaka Kim, Ji Hoon Maseda, Michael V. Nagamine, Kentaro Shibuya, Takatoshi Sugahara, Yuma Yajima, Hidenobu Aoyama, Shohei Fujimoto, Seiji Fukushima, Keita Hatano, Shun Inoue, Akio K. Ishigaki, Tsuyoshi Kawasaki, Masahiro Kojima, Takashi Komiyama, Yutaka Koyama, Shuhei Koyama, Yusei Lee, Chien-Hsiu Matsumoto, Akinori Mawatari, Ken Moriya, Takashi J. Motohara, Kentaro Murai, Kai Nishigaki, Moka Onodera, Masato Ono, Yoshiaki Rauch, Michael Saito, Tomoki Sasaki, Rin Suzuki, Akihiro Takeuchi, Tsutomu T. Umeda, Hiroya Umemura, Masayuki Watanabe, Kuria Yabe, Kiyoto Zhang, Yechi Institute for Cosmic Ray Research The University of Tokyo 5-1-5 Kashiwanoha Chiba Kashiwa277-8582 Japan Department of Astronomy Graduate School of Science The University of Tokyo 7-3-1 Hongo Bunkyo Tokyo113-0033 Japan National Astronomical Observatory of Japan 2-21-1 Osawa Mitaka Tokyo181-8588 Japan University of Tokyo Chiba Kashiwa277-8583 Japan Department of Physics Graduate School of Science The University of Tokyo 7-3-1 Hongo Bunkyo Tokyo113-0033 Japan Univ Lyon Univ Lyon1 ENS de Lyon CNRS Centre de Recherche Astrophysique de Lyon UMR5574 Saint-Genis-LavalF-69230 France Center for Relativistic Astrophysics School of Physics Georgia Institute of Technology AtlantaGA30332 United States European Southern Observatory Karl-Schwarzschild-Straße 2 Garching85748 Germany Observatoire de Genéve Université de Genéve 51 Ch. des Maillettes Versoix1290 Switzerland 650 North A’ohoku Place HiloHI96720 United States Research Center for Space and Cosmic Evolution Ehime University Bunkyo-cho 2-5 Ehime Matsuyama790-8577 Japan Center for Computational Sciences University of Tsukuba Ten-nodai 1-1-1 Tsukuba Ibaraki305-8577 Japan Department of Physics and Astronomy University College London Gower Street LondonWC1E 6BT United Kingdom National Institute of Technology Ichinoseki College Hagisho Ichinoseki021-8511 Japan Astronomical Institute Tohoku University 6-3 Aoba Aramaki Aoba-ku Miyagi Sendai980-8578 Japan Department of Physics and Astronomy University of Notre Dame 225 Nieuwland Science Hall Notre DameIN46556 United States Astronomy Program Department of Physics and Astronomy Seoul National University 1 Gwanak-ro Gwanak-gu Seoul08826 Korea Republic of SNU Astronomy Research Center Seoul National University 1 Gwanak-ro Gwanak-gu Seoul08826 Korea Republic of Department of Astronomy University of Wisconsin-Madison 475 N. Charter Street MadisonWI53706 United States Theoretical Astrophysics Department of Earth & Space S

We present demography of the dynamics and gas-mass fraction of 33 extremely metal-poor galaxies (EMPGs) with metallicities of 0.015 − 0.195 Zo and low stellar masses of 104 − 108 Mo in the local universe. We conduct deep optical integral-field spectroscopy (IFS) for the low-mass EMPGs with the medium high resolution (R = 7500) grism of the 8m-Subaru FOCAS IFU instrument by the EMPRESS 3D survey, and investigate Hα emission of the EMPGs. Exploiting the resolution high enough for the low-mass galaxies, we derive gas dynamics with the Hα lines by the fitting of 3-dimensional disk models. We obtain an average maximum rotation velocity (vrot) of 15 ± 3 km s−1 and an average intrinsic velocity dispersion (σ0) of 27 ± 10 km s−1 for 15 spatially resolved EMPGs out of the 33 EMPGs, and find that all of the 15 EMPGs have vrot/σ0 rot/σ0 with the decreasing stellar mass and metallicity. We derive the gas mass fraction (fgas) for all of the 33 EMPGs, and find no clear dependence on stellar mass and metallicity. These vrot/σ0 and fgas trends should be compared with young high-z galaxies observed by the forthcoming JWST IFS programs to understand the physical origins of the EMPGs in the local universe. © 2023, CC BY.

关键词： Galaxies

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An Assitive Walker considering with its User's Gait Difference of Both Feet

An Assitive Walker considering with its User's Gait Differen...

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Conference on Human System Interactions, HSI

作者： Kohei Oigawa Daisuke Chugo Satoshi Muramatsu Sho Yokota Hiroshi Hashimoto School of Science and Technology Kwansei Gakuin University Sanda Hyogo Japan School of Science and Information and Telecommunication Engineering Tokai University Kanagawa Hiratsuka Japan Faculty of Science and Engineering Toyo University Saitama Kawagoe Japan Master Program of Innovation for Design and Engineering Advanced Institute of Industrial Technology Shinagawa Tokyo Japan

This paper proposes a novel assistive walker robot, which considers its user's gait. Previous researchers have been developed many assistive walker, and many of them have discussed on obstacles/step avoidance function, path following function and gravity negating gravitational force function. However, by opinions of nursing specialists, the walker is first required to realize safe walking function especially, which prevents falling down of its user. Therefore, it is important to maintain the body balance of its user and considering with the characteristics of its user, the walker should coordinate it according to the walking way of its user. For realizing this, our proposed walker measures the right and left foot gait of its user and estimates its user's body balance by calculating his/her position of center of gravity (COG). Proposed system does not require sensors which are installed on its user's body for practical usage. Using estimated body balance, our proposed walker controls assistance force vector for maintaining body balance stably. A prototype assistive walker, based on the proposed idea is fabricated to help patients walking safely according to their walking gait.

关键词： Foot Legged locomotion Brushless DC motors Thigh Wheels

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Retraction notice to "Personal protective equipment-derived pollution during Covid-19 era: A critical review of ecotoxicology impacts, intervention strategies, and future challenges" [Sci. Total Environ. 887(2023) 164164]

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The science of the total environment 2025年 967卷 178758页

作者： Mehedi Hasan Abu Reza Md Towfiqul Islam Most Mastura Munia Farjana Jion Md Naimur Rahman Susmita Datta Peu Arnob Das A B M Mainul Bari Md Saiful Islam Subodh Chandra Pal Aznarul Islam Tasrina Rabia Choudhury Md Refat Jahan Rakib Abubakr M Idris Guilherme Malafaia Department of Disaster Management Begum Rokeya University Rangpur 5400 Bangladesh. Department of Disaster Management Begum Rokeya University Rangpur 5400 Bangladesh Department of Development Studies Daffodil International University Dhaka 1216 Bangladesh. Department of Geography and Environmental Science Begum Rokeya University Rangpur 5400 Bangladesh. Department of Agriculture Hajee Mohammad Danesh Science and Technology University Dinajpur 5200 Bangladesh. Department of Mechanical Engineering Rajshahi University of Engineering & Technology 6 Rajshahi 6204 Bangladesh. Department of Industrial and Production Engineering Bangladesh University of Engineering and Technology Dhaka 1000 Bangladesh. Department of Soil Science Patuakhali Science and Technology University Dumki Patuakhali 8602 Bangladesh. Department of Geography The University of Burdwan Bardhaman 713104 West Bengal India. Department of Geography Aliah University 17 Gorachand Road Kolkata 700 014 West Bengal India. Analytical Chemistry Laboratory Chemistry Division Atomic Energy Centre Dhaka (AECD) Bangladesh Atomic Energy Commission Dhaka 1000 Bangladesh. Department of Fisheries and Marine Science Faculty of Science Noakhali Science and Technology University Noakhali Bangladesh. Department of Chemistry College of Science King Khalid University Abha 62529 Saudi Arabia Research Center for Advanced Materials Science (RCAMS) King Khalid University Abha Saudi Arabia. Post-Graduation Program in Conservation of Cerrado Natural Resources Goiano Federal Institute Urutaí GO Brazil Post-Graduation Program in Ecology Conservation and Biodiversity Federal University of Uberlândia Uberlândia MG Brazil Post-Graduation Program in Biotechnology and Biodiversity Federal University of Goiás Goiânia GO Brazil.

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OPTIMADE, an API for exchanging materials data

arXiv

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arXiv 2021年

作者： Andersen, Casper W. Armiento, Rickard Blokhin, Evgeny Conduit, Gareth J. Dwaraknath, Shyam Evans, Matthew L. Fekete, Ádám Gopakumar, Abhijith Gražulis, Saulius Merkys, Andrius Mohamed, Fawzi Oses, Corey Pizzi, Giovanni Rignanese, Gian-Marco Scheidgen, Markus Talirz, Leopold Toher, Cormac Winston, Donald Aversa, Rossella Choudhary, Kamal Colinet, Pauline Curtarolo, Stefano Di Stefano, Davide Draxl, Claudia Er, Suleyman Esters, Marco Fornari, Marco Giantomassi, Matteo Govoni, Marco Hautier, Geoffroy Hegde, Vinay Horton, Matthew K. Huck, Patrick Huhs, Georg Hummelshøj, Jens Kariryaa, Ankit Kozinsky, Boris Kumbhar, Snehal Liu, Mohan Marzari, Nicola Morris, Andrew J. Mostofi, Arash A. Persson, Kristin A. Petretto, Guido Purcell, Thomas Ricci, Francesco Rose, Frisco Scheffler, Matthias Speckhard, Daniel Uhrin, Martin Vaitkus, Antanas Villars, Pierre Waroquiers, David Wolverton, Chris Wu, Michael Yang, Xiaoyu École Polytechnique Fédérale de Lausanne Lausanne1015 Switzerland Materials Design and Informatics Unit Department of Physics Chemistry and Biology Linköping University Sweden Tilde Materials Informatics Straßmannstraße 25 Berlin10249 Germany Materials Platform for Data Science Sepapaja 6 Tallinn15551 Estonia Theory of Condensed Matter Group Cavendish Laboratory 19 J.J. Thomson Avenue CambridgeCB3 0HE United Kingdom Lawrence Berkeley Labs BerkeleyCA United States Chemin des Étoiles 8 Louvain-la-Neuve1348 Belgium Department of Physics King's College London London United Kingdom Department of Materials Science and Engineering Northwestern University EvanstonIL60208 United States Institute of Biotechnology Life Science Center Vilnius University Saulétekio av. 7 VilniusLT-10257 Lithuania Institute of Computer Science Faculty of Mathematics and Informatics Vilnius University Naugarduko g. 24 VilniusLT-03225 Lithuania Fritz-Haber-Institut der Max-Planck-Gesellschaft Faradayweg 4-6 Berlin14195 Germany Center for Autonomous Materials Design Duke University DurhamNC27708 United States Department of Mechanical Engineering and Materials Science Duke University DurhamNC27708 United States Humboldt-Universität zu Berlin Institut für Physik and IRIS Adlershof Berlin12489 Germany École Polytechnique Fédérale de Lausanne Sion1951 Switzerland Trieste34136 Italy Hermann-von-Helmholtz-Platz 1 Eggenstein-Leopoldshafen76344 Germany Materials Measurement Laboratory National Institute of Standards and Technology GaithersburgMD20899 United States Ansys 300 Rustat House 62 Clifton Rd CambridgeCB1 7EG United Kingdom De Zaale 20 Eindhoven5612 AJ Netherlands Department of Physics and Science of Advanced Materials Program Central Michigan University Mount PleasantMI48859 United States Argonne National Laboratory LemontIL60439 United States Thayer School of Engineering Dartmouth College HanoverNH03755 United States Los AltosCA940

The Open Databases Integration for materials design (OPTIMADE) consortium has designed a universal application programming interface (API) to make materials databases accessible and interoperable. We outline the first stable release of the specification, v1.0, which is already supported by many leading databases and several software packages. We illustrate the advantages of the OPTIMADE API through worked examples on each of the public materials databases that support the full API specification. © 2021, CC BY.

关键词： Specifications

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Standing assistance that encourages a suitable posture with intended movements and voice messages

Standing assistance that encourages a suitable posture with ...

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Annual Conference of the IEEE Industrial Electronics Society

作者： Daisuke Chugo Masahiro Yokota Shohei Kawazoe Satoshi Muramatsu Sho Yokota Hiroshi Hashimoto Kwansei Gakuin University Graduate School of Science and Technology Hyogo Japan School of Information Science and Technology Tokai University Hiratsuka Kanagawa Japan Faculty of Science and Engineering Toyo University Kawagoe Saitama Japan Master Program of Innovation for Design and Engineering Advanced Institute of Industrial Technology Shinagawa Tokyo Japan

This paper proposes a novel standing assistance scheme that guides a subject to adopt a suitable posture using intended movements and voice messages. In much previous research, an assistive robot requires the patient to understand the standing reference beforehand and generally, the subject learns the standing motion used by the robot. However, for practical use, a patient should be able to use an assistive robot without special prior knowledge. Nursing specialists also guide their patients with an intended movement and a voice message. For example, when they incline a patient's upper body before lifting it up, they notify the patient of a motion start with simpler words and guide the patient's body with a special moving pattern. Therefore, in this paper, we develop a standing assistance scheme that guides the patient to stand in the intended way based on skills of these nursing specialists. The effectiveness of the proposed method is verified by experiments with our prototype.

关键词： Legged locomotion Robot kinematics Medical services Senior citizens Actuators Springs

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Density functional study on the oxygen evolution reaction mechanism of transition metal doped bimetallic NiCu phosphate surface

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Computational and Theoretical Chemistry 2025年 1250卷

作者： Hamdi Ikhwan Dzaki Ahmad Syaifullah Muhammad Arkan Nuruzzahran Nadhratun Naiim Mobarak Sasfan Arman Wella Fadjar Fathurrahman Ni Luh Wulan Septiani Adhitya Gandaryus Saputro Graduate Program of Engineering Physics Faculty of Industrial Technology Institut Teknologi Bandung Bandung West Java 40132 Indonesia PT. PLN (Persero) Indonesia Department of Chemical Sciences Faculty of Science and Technology Universiti Kebangsaan Malaysia 43600 UKM Bangi Selangor Darul Ehsan Malaysia Research Center for Quantum Physics National Research and Innovation Agency (BRIN) South Tangerang 15314 Indonesia Collaboration Research Center for Advanced Energy Materials BRIN - Institut Teknologi Bandung Bandung 40132 Indonesia Quantum and Nano Technology Research Group Bandung Institute of Technology Bandung 40132 Indonesia Research Centre for Nanoscience and Nanotechnology Institut Teknologi Bandung Bandung West Java 40132 Indonesia Research Center for Electronics National Research and Innovation Agency KST Samaun Samadikun Bandung 40135 Indonesia

We have explored the oxygen evolution reaction (OER) activity of both undoped nickel copper phosphate (NiCuPO) and transition metal-doped NiCuPO-M (M = Mn, Fe, Co) surfaces using periodic density functional theory (DFT)-based calculations. Our findings highlight that while the undoped NiCuPO surface exhibits a high overpotential of 0.98 V, the introduction of transition metal doping remarkably enhances the OER performance, reducing the overpotential to as low as 0.41 V in the Mn-doped case, outperforming the widely used IrO 2 catalyst. This enhancement is primarily due to a favorable shift in the d -band center, which increases O* adsorption strength and decreases the OER overpotential. Among the doped systems, Mn and Fe doping demonstrate the most substantial reductions in overpotential, underscoring their potential as efficient catalysts for OER applications.

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In Situ Electric-Field Control of THz Nonreciprocal Directional Dichroism in the Multiferroic Ba2CoGe2O7

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Physical Review Letters 2021年第15期127卷 157201-157201页

作者： J. Vít J. Viirok L. Peedu T. Rõõm U. Nagel V. Kocsis Y. Tokunaga Y. Taguchi Y. Tokura I. Kézsmárki P. Balla K. Penc J. Romhányi S. Bordács Department of Physics Budapest University of Technology and Economics 1111 Budapest Hungary Institute of Physics ASCR Na Slovance 2 182 21 Prague 8 Czech Republic Faculty of Nuclear Science and Physical Engineering Czech Technical University Břehová 7 115 19 Prague 1 Czech Republic National Institute of Chemical Physics and Biophysics Akadeemia tee 23 12618 Tallinn Estonia RIKEN Center for Emergent Matter Science (CEMS) Wako 351-0198 Japan Department of Advanced Materials Science University of Tokyo Kashiwa 277-8561 Japan Department of Applied Physics and Tokyo College University of Tokyo Tokyo 113-8656 Japan Experimental Physics V Center for Electronic Correlations and Magnetism University of Augsburg 86135 Augsburg Germany Institute for Solid State Physics and Optics Wigner Research Centre for Physics P.O. Box. 49 H-1525 Budapest Hungary Department of Physics and Astronomy University of California Irvine 4129 Frederick Reines Hall Irvine California 92697 USA Hungarian Academy of Sciences Premium Postdoctor Program 1051 Budapest Hungary

Nonreciprocal directional dichroism, also called the optical-diode effect, is an appealing functional property inherent to the large class of noncentrosymmetric magnets. However, the in situ electric control of this phenomenon is challenging as it requires a set of conditions to be fulfilled: Special symmetries of the magnetic ground state, spin excitations with comparable magnetic- and electric-dipole activity, and switchable electric polarization. We demonstrate the isothermal electric switch between domains of Ba2CoGe2O7 possessing opposite magnetoelectric susceptibilities. Combining THz spectroscopy and multiboson spin-wave analysis, we show that unbalancing the population of antiferromagnetic domains generates the nonreciprocal light absorption of spin excitations.

关键词： Magnetoelectric effect Magnons Optical & microwave phenomena Antiferromagnets Multiferroics

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The Ni isotopic composition of Ryugu reveals a common accretion region for carbonaceous chondrites

arXiv

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arXiv 2024年

作者： Spitzer, Fridolin Kleine, Thorsten Burkhardt, Christoph Hopp, Timo Yokoyama, Tetsuya Abe, Yoshinari Aléon, Jérôme OD. Alexander, Conel M. Amari, Sachiko Amelin, Yuri Bajo, Ken-Ichi Bizzarro, Martin Bouvier, Audrey Carlson, Richard W. Chaussidon, Marc Choi, Byeon-Gak Dauphas, Nicolas Davis, Andrew M. Rocco, Tommaso Di Fujiya, Wataru Fukai, Ryota Gautam, Ikshu Haba, Makiko K. Hibiya, Yuki Hidaka, Hiroshi Homma, Hisashi Hoppe, Peter Huss, Gary R. Ichida, Kiyohiro Iizuka, Tsuyoshi Ireland, Trevor R. Ishikawa, Akira Itoh, Shoichi Kawasaki, Noriyuki Kita, Noriko T. Kitajima, Kouki Komatani, Shintaro Krot, Alexander N. Liu, Ming-Chang Masuda, Yuki Morita, Mayu Moynier, Fréderic Motomura, Kazuko Nakai, Izumi Nagashima, Kazuhide Nguyen, Ann Nittler, Larry Onose, Morihiko Pack, Andreas Park, Changkun Piani, Laurette Qin, Liping Russell, Sara S. Sakamoto, Naoya Schönbächler, Maria Tafla, Lauren Tang, Haolan Terada, Kentaro Terada, Yasuko Usui, Tomohiro Wada, Sohei Wadhwa, Meenakshi Walker, Richard J. Yamashita, Katsuyuki Yin, Qing-Zhu Yoneda, Shigekazu Young, Edward D. Yui, Hiroharu Zhang, Ai-Cheng Nakamura, Tomoki Naraoka, Hiroshi Noguchi, Takaaki Okazaki, Ryuji Sakamoto, Kanako Yabuta, Hikaru Abe, Masanao Miyazaki, Akiko Nakato, Aiko Nishimura, Masahiro Okada, Tatsuaki Yada, Toru Yogata, Kasumi Nakazawa, Satoru Saiki, Takanao Tanaka, Satoshi Terui, Fuyuto Tsuda, Yuichi Watanabe, Sei-Ichiro Yoshikawa, Makoto Tachibana, Shogo Yurimoto, Hisayoshi Max Planck Institute for Solar System Research Justus-von-Liebig-Weg 3 Göttingen37077 Germany Department of Earth and Planetary Sciences Tokyo Institute of Technology Tokyo152-8551 Japan Graduate School of Engineering Materials Science and Engineering Tokyo Denki University Tokyo120-8551 Japan Institut de Minéralogie de Physique des Matériaux et de Cosmochimie Sorbonne Université Museum National d'Histoire Naturelle CNRS UMR 7590 IRD Paris75005 France Earth and Planets Laboratory Carnegie Institution for Science WashingtonDC20015 United States McDonnell Center for the Space Sciences and Physics Department Washington University 35 St. LouisMO63130 United States Geochemical Research Center The University of Tokyo Tokyo113-0033 Japan Guangzhou Institute of Geochemistry Chinese Academy of Sciences GD Guangzhou510640 China Departement of Natural History Sciences Hokkaido University Sapporo001-0021 Japan Centre for Star and Planet Formation Globe Institute University of Copenhagen Copenhagen1350 Denmark Bayerisches Geoinstitut Universität Bayreuth Bayreuth95447 Germany Université Paris Cité Institut de Physique du Globe de Paris CNRS Paris75005 France Department of Earth Science Education Seoul National University Seoul08826 Korea Republic of Department of the Geophysical Sciences Enrico Fermi Institute The University of Chicago 5734 South Ellis Avenue Chicago60637 United States Faculty of Geosciences and Geography University of Göttingen GöttingenD-37077 Germany Faculty of Science Ibaraki University Mito310-8512 Japan ISAS/JSEC JAXA Sagamihara252-5210 Japan Research Center for Advanced Science and Technology The University of Tokyo Tokyo153-8904 Japan Research Institute for Marine Resources Utilization Japan Agency for Marine-Earth Science and Technology Kanagawa237-0061 Japan Departement of Earth and Planetary Sciences Nagoya University Nagoya464-8601 Japan Osaka Application Laboratory SBUWDX Rigaku Corporation Osaka569-1

The isotopic compositions of samples returned from Cb-type asteroid Ryugu and Ivuna-type (CI) chondrites are distinct from other carbonaceous chondrites, which has led to the suggestion that Ryugu/CI chondrites formed in a different region of the accretion disk, possibly around the orbits of Uranus and Neptune. We show that, like for Fe, Ryugu and CI chondrites also have indistinguishable Ni isotope anomalies, which differ from those of other carbonaceous chondrites. We propose that this unique Fe and Ni isotopic composition reflects different accretion efficiencies of small FeNi metal grains among the carbonaceous chondrite parent bodies. The CI chondrites incorporated these grains more efficiently, possibly because they formed at the end of the disk’s lifetime, when planetesimal formation was also triggered by photoevaporation of the disk. Isotopic variations among carbonaceous chondrites may thus reflect fractionation of distinct dust components from a common reservoir, implying CI chondrites/Ryugu may have formed in the same region of the accretion disk as other carbonaceous chondrites. © 2024, CC BY.

关键词： Nickel

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Effect of Molecular Distortion of Ligand Field Splitting in Five-Coordinated Metal Complex

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IOP Conference Series: materials science and engineering 2020年第1期835卷

作者： Yoshiki Fujikawa Dan Tsuneda Yuki Tsutsumi Momoe Nakano Takeyoshi Oguma Tomohiko Ishii Genta Sakane Kazuyoshi Ogasawara Program of Advanced Materials Science Department of Engineering and Design Faculty of Engineering and Design Kagawa University 2217-20 Hayashi-cho Takamatsu Kagawa 761-0396 JAPAN. Department of Chemistry Faculty of Science Okayama University of Science 1-1 Ridaicho Kita-Ku Okayama 700-0005 Japan School of Science and Technology Kwansei Gakuin University 2-1 Gakuen Sanda Hyogo 669-1337 JAPAN.

Metal complex indicates the significant physical properties such as magnetism, electrical conductivity and an optical property due to the electronic interaction between the ligand molecule and the central metal ion. We have evaluated the magnetism of the metal complex by controlling the ligand field splitting, which is the energy splitting of the d-orbitals. The magnetic phenomenon of such compounds are realized as a result of the electronic state based on the transition metal coordination complexes, and which can be switched between high spin (HS) and low spin (LS), that is called a spin-crossover (SCO) phenomenon. Our group have been investigated the way how to control the spin state according to the concept of a molecular distortion. The five-coordinated metal complex ML5 has been experimentally confirmed to be a molecular distortion called the Berry pseudorotation (BPR). In the BPR process, both the axial and equatorial ligands can move at the same rate of increasing the angle between the other axial or equatorial ligands in five-coordinated metal complex. The classical BPR mechanism changes its molecular symmetry between two independent trigonal bipyramidals (TBPs) of D3h symmetry via a square pyramidal (SP) of C4v symmetry. The distortion parameters in the five-coordinated metal complexes τ5 are proposed in order to represent the distortion of the BPR process quantitatively. In this work, we predicted the possibility of the SCO phenomenon in intramolecular exchange mechanism through the BPR process in a five-coordinated metal complexes.

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