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Sheng, L.*; 山本 慧; 他18名*
Nature Physics, 21(5), p.740 - 745, 2025/05
被引用回数：13 パーセンタイル：97.87(Physics, Multidisciplinary)Controlling the spin current lies at the heart of spintronics and its applications. In ferromagnets, the sign of spin currents is fixed once the current direction is determined. However, spin currents in antiferromagnets can possess opposite polarizations, but this requires enormous magnetic fields to lift the degeneracy between the two modes. Therefore, controlling spin currents with opposite polarization is still a challenge. Here we demonstrate the control of spin currents at room temperature by magnon interference in a canted antiferromagnet, namely, haematite that has recently been classified as an altermagnet. Magneto-optical characterization by Brillouin light scattering reveals that the spatial periodicity of the beating patterns is tunable via the microwave frequency. We further observe that the inverse spin Hall voltage changes sign as the frequency is tuned, evincing a frequency-controlled switching of polarization of pure spin currents. Our work highlights the use of antiferromagnetic magnon interference to control spin currents, which substantially extends the horizon for the emerging field of coherent antiferromagnetic spintronics.
GeTe
to hydrostatic pressureWang, Y.*; Zeng, X.-T.*; Li, B.*; Su, C.*; 服部 高典; Sheng, X.-L.*; Jin, W.*
Chinese Physics B, 34(4), p.046203_1 - 046203_6, 2025/03
被引用回数：0 パーセンタイル：0.00(Physics, Multidisciplinary)二次元ファンデルワールス強磁性体FeGeTe(FGT)は、その高いキュリー温度、容易な調整性、空気中での優れた構造安定性から、スピントロニクスデバイスへの応用に大きな可能性を秘めている。理論的研究により、外部パラメータとしての圧力が強磁性特性に大きく影響することが示されている。本研究では、5GPaまでの高圧中性子粉末回折(NPD)実験を行い、FGTの静水圧による構造及び磁気特性の変化を調べた。NPDデータは、静水圧による見かけ上の抑制にもかかわらず、FGTにおける強磁性の頑健性を明らかにした。圧力が0から5GPaまで増加すると、キュリー温度は225(5)Kから175(5)Kまで単調減少し、Feの秩序モーメントが劇的に抑制されることがわかった。圧力による構造相転移は5GPaまで観測されなかったが、結合長と結合角の変化を定量的に解析した結果、交換相互作用が大きく変化していることがわかった。
Brumm, S.*; Gabrielli, F.*; Sanchez Espinoza, V.*; Stakhanova, A.*; Groudev, P.*; Petrova, P.*; Vryashkova, P.*; Ou, P.*; Zhang, W.*; Malkhasyan, A.*; et al.
Annals of Nuclear Energy, 211, p.110962_1 - 110962_16, 2025/02
被引用回数：12 パーセンタイル：95.98(Nuclear Science & Technology)The completed Horizon-2020 project on "Management and Uncertainties of Severe Accidents (MUSA)" has reviewed uncertainty sources and Uncertainty Quantification methodology for the purpose of assessing Severe Accidents (SA). The key motivation of the project has been to bring the advantages of the Best Estimate Plus Uncertainty approach to the field of Severe Accident. The applications brought together a large group of participants that set out to apply uncertainty analysis (UA) within their field of SA modelling expertise, in particular reactor types, but also SA code used (ASTEC, MELCOR, etc.), uncertainty quantification tools used (DAKOTA, RAVEN, etc.), detailed accident scenarios, and in some cases SAM actions. This paper synthesizes the reactor-application work at the end of the project. Analyses of 23 partners are sorted into different categories, depending on whether their main goal is/are (i) uncertainty bands of simulation results; (ii) the understanding of dominating uncertainties in specific sub-models of the SA code; (iii) improving the understanding of specific accident scenarios, with or without the application of SAM actions; or, (iv) a demonstration of the tools used and developed, and of the capability to carry out an uncertainty analysis in the presence of the challenges faced. The partners' experiences made during the project have been evaluated and are presented as good practice recommendations. The paper ends with conclusions on the level of readiness of UA in SA modelling, on the determination of governing uncertainties, and on the analysis of SAM actions.
-
transitionsYang, Q.*; Yang, X.*; Wang, Y.*; Fei, Y.*; Li, F.*; Zheng, H.*; Li, K.*; Han, Y.*; 服部 高典; Zhu, P.*; et al.
Nature Communications (Internet), 15, p.7778_1 - 7778_9, 2024/09
被引用回数：38 パーセンタイル：95.37(Multidisciplinary Sciences)明るい一重項励起子と三重項励起子を同時に発現する発光材料は、オプトエレクトロニクス、サイネージ、情報暗号化において大きな可能性を秘めている。しかしながら、高性能の白色発光を実現するためには、蛍光と燐光の寄与が不均衡であることが大きな障害となっている。ここでは、水素結合の協同効果による圧力処理エンジニアリングによって、n--遷移の混合を実現し、イソフタル酸(IPA)中で三重項状態の発光を7%から40%に高めることで、この課題に対処した。加圧処理したIPAでは、蛍光と燐光のハイブリッドに基づく優れた白色発光が得られ、フォトルミネッセンス量子収率は当初の19%(青色発光)から75%に増加した。その場での高圧IRスペクトル、X線回折、中性子回折から、圧力の上昇に伴い水素結合が連続的に強化されることが明らかになった。さらに、この強化された水素結合は、圧力処理後も常圧条件下まで保持され、バランスの取れた一重項/三重項励起子集団のための効率的な系間交差を目的としたIPAに与え、効率的な白色発光をもたらした。この研究は、有機低分子の三重項状態を明るくするルートを提案するだけでなく、一重項励起子と三重項励起子の比率を調節して、高性能の白色発光を構築するものである。
Baccou, J.*; Glantz, T.*; Ghione, A.*; Sargentini, L.*; Fillion, P.*; Damblin, G.*; Sueur, R.*; Iooss, B.*; Fang, J.*; Liu, J.*; et al.
Nuclear Engineering and Design, 421, p.113035_1 - 113035_16, 2024/05
被引用回数：10 パーセンタイル：93.85(Nuclear Science & Technology)In the Best-Estimate Plus Uncertainty (BEPU) framework, the use of best-estimate code requires to go through a Verification, Validation and Uncertainty Quantification process (VVUQ). The relevance of the experimental data in relation to the physical phenomena of interest in the VVUQ process is crucial. Adequacy analysis of selected experimental databases addresses this problem. The outcomes of the analysis can be used to select a subset of relevant experimental data, to encourage designing new experiments or to drop some experiments from a database because of their substantial lack of adequacy. The development of a specific transparent and reproducible approach to analyze the relevance of experimental data for VVUQ still remains open and is the topic of this contribution. In this paper, the concept of adequacy initially introduced in the OECD/NEA SAPIUM (Systematic APproach for model Input Uncertainty quantification Methodology) activity is formalized. It is defined through two key properties, called representativeness and completeness, that allows considering the multifactorial dimension of the adequacy problem. A new systematic approach is then proposed to analyze the adequacy of a set of experimental databases. It relies on the introduction of two sets of criteria to characterize representativeness and completeness and on the use of multi-criteria decision analysis method to perform the analysis. Finally, the approach is applied in the framework of the new OECD/NEA ATRIUM activity which includes a set of practical IUQ exercises in thermal-hydraulics to test the SAPIUM guideline in determining input uncertainties and forward propagating them on an application case. It allows evaluating the adequacy of eight experimental databases coming from the Super Moby-dick, Sozzi-Sutherland and Marviken experiments and identifying the most adequate ones.
Zhang, A.*; Deng, K.*; Sheng, J.*; Liu, P.*; Kumar, S.*; 島田 賢也*; Jiang, Z.*; Liu, Z.*; Shen, D.*; Li, J.*; et al.
Chinese Physics Letters, 40(12), p.126101_1 - 126101_8, 2023/12
被引用回数：15 パーセンタイル：84.07(Physics, Multidisciplinary)In a Dirac semimetal, the massless Dirac fermion has zero chirality, leading to surface states connected adiabatically to a topologically trivial surface state as well as vanishing anomalous Hall effect. Recently, itis predicted that in the nonrelativistic limit of certain collinear antiferromagnets, there exists a type of chiral "Dirac-like" fermion, whose dispersion manifests four-fold degenerate crossing points formed by spin-degenerate linear bands, with topologically protected Fermi arcs. Here, by combining with neutron diffraction and first-principles calculations, we suggest a multidomain collinear antiferromagnetic configuration, rendering the existence of the Fermi-arc surface states induced by chiral Dirac-like fermions.
Esser, S. P.*; Rahlff, J.*; Zhao, W.*; Predl, M.*; Plewka, J.*; Sures, K.*; Wimmer, F.*; Lee, J.*; Adam, P. S.*; McGonigle, J.*; et al.
Nature Microbiology (Internet), 8(9), p.1619 - 1633, 2023/09
被引用回数：14 パーセンタイル：81.39(Microbiology)CRISPR-Cas systems defend prokaryotic cells from viruses, plasmids, and other mobile genetic elements. Capitalizing on multi-omics approaches, we show here that the CRISPR-Cas systems of uncultivated archaea also play an integral role in mitigating potentially detrimental interactions with episymbionts. A comprehensive analysis of CRISPR-Cas-based infection histories revealed that uncultivated deep-subsurface archaeal primary-producers defend themselves from archaeal episymbionts of the DPANN superphylum of archaea, some of which are known to fuse their membranes with their host. We show that host cells counter these attacks by deploying one of two CRISPR-Cas systems (type I-B and type III-A) to target and disrupt essential genes in the episymbiont. However, genome-scale modeling of metabolic interactions between two deep subsurface host-symbiont systems revealed that host cells also benefit from the symbionts via metabolic complementation. We speculate that populations of these uncultivated archaeal episymbionts are currently transitioning from a parasitic lifestyle to one of mutualism, as must have occurred in countless mutualistic systems known today. By expanding our analysis to thousands of archaeal genomes, we conclude that CRISPR-Cas mediated resistance to archaeal episymbiosis evolved independently in various archaeal lineages and may be a wide-spread evolutionary phenomenon.
Shangguan, Y.*; Bao, S.*; Dong, Z.-Y.*; Xi, N.*; Gao, Y.-P.*; Ma, Z.*; Wang, W.*; Qi, Z.*; Zhang, S.*; Huang, Z.*; et al.
Nature Physics, 19(12), p.1883 - 1889, 2023/09
被引用回数：32 パーセンタイル：94.45(Physics, Multidisciplinary)The magnetization of a quantum magnet can be pinned at a fraction of its saturated value by collective effects. One example of such a plateau phase is found in spin-1/2 triangular-lattice antiferromagnets. They feature strong geometrical frustration and the plateau phase therein is often interpreted as arising from an order-by-disorder mechanism driven by quantum fluctuations. Here we observe a one-third magnetization plateau under an applied magnetic field in the spin-1 antiferromagnet Na
Ni
BiO
with a honeycomb lattice, which, with conventional magnetic interactions, would not be geometrically frustrated. Based on our elastic neutron scattering measurements, we propose the spin structure of the plateau phase to be an unusual partial spin-flop ferrimagnetic order. Our theoretical calculations indicate that bond-anisotropic Kitaev interactions are the source of frustration that produces the plateau. These results suggest that Kitaev interactions provide a different route to frustration and phases driven by quantum fluctuations in high-spin magnets.
SnS-based shandite filmsLau, Y.-C.*; 池田 絢哉*; 藤原 宏平*; 小沢 耀弘*; Zheng, J.*; 関 剛斎*; 野村 健太郎*; Du, L.*; Wu, Q.*; 塚崎 敦*; et al.
Physical Review B, 108(6), p.064429_1 - 064429_11, 2023/08
被引用回数：14 パーセンタイル：76.05(Materials Science, Multidisciplinary)Magnetic Weyl semimetals (mWSMs) are characterized by linearly dispersive bands with chiral Weyl node pairs associated with broken time-reversal symmetry. One of the hallmarks of mWSMs is the emergence of large intrinsic anomalous Hall effect. On heating the mWSM above its Curie temperature, the magnetism vanishes while exchange-split Weyl point pairs collapse into doubly degenerate gapped Dirac states. Here, we reveal the attractive potential of these Dirac nodes in paramagnetic state for efficient spin current generation at room temperature via the spin Hall effect. Ni and In are introduced to separately substitute Co and Sn in a prototypal mWSM CoSnS shandite film and tune the Fermi level. Composition dependence of spin Hall conductivity for paramagnetic shandite at room temperature resembles that of anomalous Hall conductivity for ferromagnetic shandite at low temperature; exhibiting peak-like dependence centering around the Ni-substituted CoNi
SnS and undoped CoSnS compositions, respectively. The observed spin Hall and anomalous Hall conductivity maxima at different compositions reflect optimum Fermi-level positioning relative to the paramagnetic Dirac and magnetic Weyl states, suggesting the common origin and intercorrelation between the two Hall effects. Our findings highlight a strategy for the quest of spin Hall materials, guided by the abundant experimental anomalous Hall-effect data of ferromagnets in the literature.
BaCo(PO
)Sheng, J.*; Wang, L.*; Candini, A.*; Jiang, W.*; Huang, L.*; Xi, B.*; Zhao, J.*; Ge, H.*; Zhao, N.*; Fu, Y.*; et al.
Proceedings of the National Academy of Sciences of the United States of America, 119(51), p.e2211193119_1 - e2211193119_9, 2022/12
被引用回数：45 パーセンタイル：94.81(Multidisciplinary Sciences)Although considerable progress has been made in the theoretical understanding of the low-dimensional frustrated quantum magnets, experimental realizations of a well-established scaling analysis are still scarce. This is particularly true for the two-dimensional antiferromagnetic triangular lattices. Owing to the small exchange strength, the newly discovered compound NaBaCo(PO) provides a rare opportunity for clarifying the quantum criticality in an ideal triangular lattice with quantum spin S=1/2. In addition to the establishment of the complete phase diagrams, the spin Hamiltonian with a negligible interplane interaction has been determined through the spin wave dispersion in the polarized state, which is consistent with the observation of a two-dimensional quantum critical point with the Bose-Einstein condensation of diluted free bosons.
; 
SR studies and charge-spin percolation modelSheng, Q.*; 金子 竜也*; Yamakawa, Kohtaro*; Guguchia, Z.*; Gong, Z.*; Zhao, G.*; Dai, G.*; Jin, C.*; Guo, S.*; Fu, L.*; et al.
Physical Review Research (Internet), 4(3), p.033172_1 - 033172_14, 2022/09
A pyrite system NiS
Se
exhibits a bandwidth controlled Mott transition via (S,Se) substitutions in a two-step process: the antiferromagnetic insulator (AFI) to antiferromagnetic metal (AFM) transition at 
0.45 followed by the AFM to paramagnetic metal (PMM) transition at 1.0. Among a few other Mott systems which exhibit similar two-step transitions, Ni(S,Se) is of particular interest because a large intermediate AFM region in the phase diagram would provide unique opportunities to study the interplay between the spin and charge order. By comparing and combining our muon spin relaxation studies and previous neutron scattering studies, here we propose a picture where the spin order is maintained by the percolation of "nonmetallic" localized and dangling Ni moments surrounded by S, while the charge transition from AFI to AFM is caused by the percolation of the conducting paths generated by the Ni-Se-Ni bonds.
Brumm, S.*; Gabrielli, F.*; Sanchez-Espinoza, V.*; Groudev, P.*; Ou, P.*; Zhang, W.*; Malkhasyan, A.*; Bocanegra, R.*; Herranz, L. E.*; Berda
, M.*; et al.
Proceedings of 10th European Review Meeting on Severe Accident Research (ERMSAR 2022) (Internet), 13 Pages, 2022/05
The current HORIZON-2020 project on "Management and Uncertainties of Severe Accidents (MUSA)" aims at applying Uncertainty Quantification (UQ) in the modeling of Severe Accidents (SA), particularly in predicting the radiological source term of mitigated and unmitigated accident scenarios. Within its application part, the project is devoted to the uncertainty quantification of different severe accident codes when predicting the radiological source term of selected severe accident sequences of different nuclear power plant designs, e.g. PWR, VVER, and BWR. Key steps for this investigation are, (a) the selection of severe accident sequences for each reactor design, (b) the development of a reference input model for the specific design and SA-code, (c) the selection of a list of uncertain model parameters to be investigated, (d) the choice of an UQ-tool e.g. DAKOTA, SUSA, URANIE, etc., (e) the definition of the figures of merit for the UA-analysis, (f) the performance of the simulations with the SA-codes, and, (g) the statistical evaluation of the results using the capabilities, i.e. methods and tools offered by the UQ-tools. This paper describes the project status of the UQ of different SA codes for the selected SA sequences, and the technical challenges and lessons learnt from the preparatory and exploratory investigations performed.
Hao, Y. Q.*; Wo, H. L.*; Gu, Y. M.*; Zhang, X. W.*; Gu, Y. Q.*; Zheng, S. Y.*; Zhao, Y.*; Xu, G. Y.*; Lynn, J. W.*; 中島 健次; et al.
Science China; Physics, Mechanics & Astronomy, 64(3), p.237411_1 - 237411_6, 2021/03
被引用回数：13 パーセンタイル：66.45(Physics, Multidisciplinary)We report thermodynamic and neutron diffraction measurements on the magnetic ordering properties of the honeycomb lattice magnet YbCl. We find YbCl exhibits a N
el type long-range magnetic order at the wavevector (0, 0, 0) below T
= 600 mK. This magnetic order is associated with a small sharp peak in heat capacity and most magnetic entropy release occurs above the magnetic ordering temperature. The magnetic moment lies in-plane, parallel to the monoclinic a-axis, whose magnitude m
= 0.86(3) 
is considerably smaller than the expected fully ordered moment of 2.24 for the doublet crystal-field ground state. The magnetic ordering moment gradually increases with increasing magnetic field perpendicular to the ab-plane, reaching a maximum value of 1.6(2) at 4 T, before it is completely suppressed above 
9 T. These results indicate the presence of strong quantum fluctuations in YbCl.
Wang, Y.*; Jia, G.*; Cui, X.*; Zhao, X.*; Zhang, Q.*; Gu, L.*; Zheng, L.*; Li, L. H.*; Wu, Q.*; Singh, D. J.*; et al.
Chem, 7(2), p.436 - 449, 2021/02
被引用回数：351 パーセンタイル：99.76(Chemistry, Multidisciplinary)Nanozymes are promising alternatives to natural enzymes, but their use remains limited owing to poor specificity. Overcoming this is extremely challenging due to the intrinsic structural complexity of these systems. We report theoretical design and experimental realization of a series of heterogeneous molybdenum single-atom nanozymes (named Mo
-N
-C), wherein we find that the peroxidase-like specificity is well regulated by the coordination numbers of single Mo sites. The resulting Mo-N-C catalyst shows exclusive peroxidase-like behavior. It achieves this behavior via a homolytic pathway, whereas Mo-N-C and Mo-N-C catalysts have a different heterolytic pathway. The mechanism of this coordination-number-dependent enzymatic specificity is attributed to geometrical structure differences and orientation relationships of the frontier molecular orbitals.
Lai, W.-H.*; Wang, H.*; Zheng, L.*; Jiang, Q.*; Yan, Z.-C.*; Wang, L.*; 吉川 浩史*; 松村 大樹; Sun, Q.*; Wang, Y.-X.*; et al.
Angewandte Chemie; International Edition, 59(49), p.22171 - 22178, 2020/12
被引用回数：127 パーセンタイル：96.05(Chemistry, Multidisciplinary)Herein, we report a comprehensive strategy to synthesize a full range of single-atom metals on carbon matrix, including V, Mn, Fe, Co, Ni, Cu, Ge, Mo, Ru, Rh, Pd, Ag, In, Sn, W, Ir, Pt, Pb, and Bi. The extensive applications of various single-atom catalysts (SACs) are manifested via their ability to electro-catalyze typical hydrogen evolution reactions (HER) and conversion reactions in novel room-temperature sodium sulfur batteries (RT-Na-S). The enhanced performances for these electrochemical reactions arisen from the ability of different single active atoms on local structures to tune their electronic configuration. Significantly, the electrocatalytic behaviors of diverse SACs, assisted by density functional theory calculations, are systematically revealed by in situ synchrotron X-ray diffraction and in situ transmission electronic microscopy, providing a strategic library for the general synthesis and extensive applications of SACs in energy conversion and storage.
single unit-cell FeSe superconductor深谷 有喜; Zhou, G.*; Zheng, F.*; Zhang, P.*; Wang, L.*; Xue, Q.-K.*; 社本 真一
Journal of Physics; Condensed Matter, 31(5), p.055701_1 - 055701_6, 2019/02
被引用回数：8 パーセンタイル：31.40(Physics, Condensed Matter)本研究では、SrTiO基板上の単層FeSeの構造が上下方向に非対称化していることを報告する。SrTiO基板上の単層FeSeは、鉄系超伝導体において最も高い転移温度(50K以上)を示す。全反射高速陽電子回折(TRHEPD)を用いた構造解析の結果、真空側と界面側のSe-Fe層間隔は異なり、上下方向に非対称な構造であることがわかった。これらの層間隔および結合角の平均値は、圧力下のバルクFeSeにおいて高い転移温度を示す最適値と一致している。したがって、SrTiO基板上の単層FeSeは非対称化することにより高い転移温度を発現するための最適構造を形成したと考えられる。
H - CF cocrystal towards graphane structureWang, Y.*; Dong, X.*; Tang, X.*; Zheng, H.*; Li, K.*; Lin, X.*; Fang, L.*; Sun, G.*; Chen, X.*; Xie, L.*; et al.
Angewandte Chemie; International Edition, 58(5), p.1468 - 1473, 2019/01
被引用回数：58 パーセンタイル：84.46(Chemistry, Multidisciplinary)芳香族の圧力誘起重合反応(PIP)は、sp
炭素骨格を構築するための新しい方法であり、ベンゼンとその誘導体を圧縮することによってダイヤモンド様構造を有するナノスレッドを合成した。ここで、ベンゼン-ヘキサフルオロベンゼン共結晶(CHCF)を圧縮することにより、PIP生成物中に層状構造を有するH-F置換グラフェンを同定した。その場中性子回折から決定された結晶構造およびガスクロマトグラフィー質量スペクトルによって同定された中間生成物に基づいて、20GPaでは、CHCFがベンゼンおよびヘキサフルオロベンゼンを交互に積み重ねた傾斜カラムを形成し、それらが[4+2]重合体に転化し、次いで、短距離秩序を持つ水素化フッ素化グラフェンに変化する。反応プロセスは[4+2]ディールス-アルダー, レトロディールス-アルダー、および1-1'カップリング反応を含み、前者はPIPの重要な反応である。われわれの研究は、CHCFの素反応を初めて確認した。これは、芳香族化合物のPIPについての新しい見方を提供する。
Chadwick, M. B.*; Capote, R.*; Trkov, A.*; Herman, M. W.*; Brown, D. A.*; Hale, G. M.*; Kahler, A. C.*; Talou, P.*; Plompen, A. J.*; Schillebeeckx, P.*; et al.
Nuclear Data Sheets, 148, p.189 - 213, 2018/02
被引用回数：80 パーセンタイル：97.59(Physics, Nuclear)CIELO国際協力では、原子力施設の臨界性に大きな影響を与える重要核種(
U, 
U, 
Pu, 
Fe, 
O, 
H)の中性子断面積データの精度を改善し、これまで矛盾していると考えられた点を解消することを目的として研究が行われた。多くの研究機関が参加したこのパイロットプロジェクトは、IAEAの支援も受けて、OECD/NEAの評価国際協力ワーキングパーティ(WPEC)のSubgroup 40として組織された。本CIELOプロジェクトは、新たな実験研究や理論研究を行う動機付けとなり、測定データを正確に反映し臨界性の積分テストに優れた新たな一連の評価済みライブラリとして結実した。本報告書は、これまでの研究成果と、本国際協力の次の段階の計画概要をまとめたものである。
Chadwick, M. B.*; Capote, R.*; Trkov, A.*; Kahler, A. C.*; Herman, M. W.*; Brown, D. A.*; Hale, G. M.*; Pigni, M.*; Dunn, M.*; Leal, L.*; et al.
EPJ Web of Conferences, 146, p.02001_1 - 02001_9, 2017/09
被引用回数：8 パーセンタイル：95.59(Nuclear Science & Technology)CIELO共同研究では中性子断面積データの改善及びこれまでの評価で見られた断面積の不一致を解決することを目的として、原子力の臨界性に大きな影響を与える5核種(O, Fe, 
U, Pu)の中性子断面積を評価している。この国際パイロットプロジェクトでは、経済協力開発機構・原子力機関・核データ評価国際協力ワーキングパーティに設置されたサブグループ40の下でIAEAからのサポートを受けて、実験並びに理論的な研究を活発に実施している。これらの研究を通じて測定データを精度よく反映し、さらに臨界性に関する積分テストで良い結果を示す新しい評価済ライブラリを開発している。
H-CF cocrystal under extreme conditionsWang, Y.*; Wang, L.*; Zheng, H.*; Li, K.*; Andrzejewski, M.*; 服部 高典; 佐野 亜沙美; Katrusiak, A.*; Meng, Y.*; Liao, F.*; et al.
Journal of Physical Chemistry C, 120(51), p.29510 - 29519, 2016/12
被引用回数：30 パーセンタイル：63.09(Chemistry, Physical)芳香族分子を加圧重合(PIP)すると飽和炭素ナノ構造を作ることができる。強く
-結合した積層ユニットとしてCH-CF不可物は超分子化学に広く適用され、PIPのよい事前構造体を提供する。本研究では、高圧下におけるCH-CF共結晶の構造変化とその後のPIPプロセスを調べた。ラマン分光、IR、シンクロトロンX線および中性子回折によって、4つの新しい分子複合体相V、VI、VIIおよびVIIIが同定され、特徴づけられた。V相は、低温で観察される相とは異なり、傾斜した柱状構造を有する。VI相およびVII相は、V相と類似の構造を有する。VIII相は、触媒なしで25GPa以上で不可逆的に重合し、sp(CH/F)
物質を生成する。-の相互作用は、0.5GPa以下でも依然として支配的であるが、さらに高圧下では過度に進行する。この現象は、超分子相転移および重合プロセスを議論するために重要である。
