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Lin, Z. M.*; Liu, B. X.*; Ming, K. S.*; Xu, P. G.; Yin, F. X.*; Zheng, S. J.*
Scripta Materialia, 263, p.116692_1 - 116692_7, 2025/07
Times Cited Count：0Brumm, 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
Times Cited Count：5 Percentile：90.97(Nuclear Science & Technology)Yang, X.*; Che, G.*; Wang, Y.*; Zhang, P.*; Tang, X.*; Lang, P.*; Gao, D.*; Wang, X.*; Wang, Y.*; Hattori, Takanori; et al.
Nano Letters, 25(3), p.1028 - 1035, 2025/01
Times Cited Count：0 Percentile：0.00(Chemistry, Multidisciplinary)Saturated sp
-carbon nanothreads (CNTh) have garnered significant interest due to their predicted high Young's modulus and thermal conductivity. While the incorporation of heteroatoms into the central ring has been shown to influence the formation of CNTh and yield chemically homogeneous products, the impact of pendant groups on the polymerization process remains underexplored. In this study, we investigate the pressure-induced polymerization of phenol, revealing two phase transitions occurring below 0.5 and 4 GPa. Above 20 GPa, phenol polymerizes into degree-4 CNThs featuring hydroxyl and carbonyl groups. Hydrogen transfer of hydroxyl groups was found to hinder the formation of degree-6 nanothreads. Our findings highlight the crucial role of the hydroxyl group in halting further intracolumn polymerization and offer valuable insights for future mechanism research and nanomaterial synthesis.
Che, G.*; Fei, Y.*; Tang, X.*; Zhao, Z.*; Hattori, Takanori; Abe, Jun*; Wang, X.*; Ju, J.*; Dong, X.*; Wang, Y.*; et al.
Physical Chemistry Chemical Physics, 27(2), p.1112 - 1118, 2025/01
Times Cited Count：2 Percentile：47.21(Chemistry, Physical)Pressure-induced polymerization (PIP) of aromatic molecules has emerged as an effective method for synthesizing various carbon-based materials. In this work, PIP of 1,4-difluorobenzene (1,4-DFB) was investigated. 
high-pressure investigations of 1,4-DFB reveal a phase transition at approximately 12.0 GPa and an irreversible chemical reaction at 18.7 GPa. Structural analysis of the product and the kinetics of the reaction uncovered the formation of pseudohexagonal stacked fluoro-diamond nanothreads with linear growth. Compared to the crystal structures of benzene under high pressure, 1,4-DFB exhibits higher compression along the [001] axis. The anisotropic compression is attributed to the stronger H
interaction along the [01
] axis and the potential compression-inhibiting H
F interactions along the [100] and [010] axes, and it facilitates a possible reaction pathway along the [01] axis. This work emphasizes the crucial role of functionalization in modulating molecular stacking and influencing the reaction pathway.
Xu, J.*; Lang, P.*; Liang, S.*; Zhang, J.*; Fei, Y.*; Wang, Y.*; Gao, D.*; Hattori, Takanori; Abe, Jun*; Dong, X.*; et al.
Journal of Physical Chemistry Letters (Internet), p.2445 - 2451, 2025/00
Times Cited Count：0 Percentile：0.00(Chemistry, Physical)The Alder-ene reaction is a chemical reaction between an alkene with an allylic hydrogen, and it provides an efficient method to construct the C-C bond. Traditionally, this reaction requires catalysts, high temperatures, or photocatalysis. In this study, we reported a high-pressure-induced solid-state Alder-ene reaction of 1-hexene at room temperature without a catalyst. 1-Hexene crystallizes at 4.3 GPa and polymerizes at 18 GPa, forming olefins. By exploring gas chromatography-mass spectrometry, we discovered that 1-hexene generates dimeric products through the Alder-ene reaction under high pressures. The in situ neutron diffraction shows that the reaction process did not obey the topochemical rule. A six-membered ring transition state including one C-H 
bond and two alkene 
bonds was evidenced by the theoretical calculation, whose energy obviously decreased when compressed to 20 GPa. Our work offers a novel and promising method to realize the Alder-ene reaction at room temperature without a catalyst, expanding the application of this important reaction.
Zheng, X.-G.*; Yamauchi, Ichihiro*; Hagihara, Masato; Nishibori, Eiji*; Kawae, Tatsuya*; Watanabe, Isao*; Uchiyama, Tomoki*; Chen, Y.*; Xu, C.-N.*
Nature Communications (Internet), 15, p.9989_1 - 9989_12, 2024/11
Times Cited Count：0 Percentile：0.00(Multidisciplinary Sciences)Zheng, X.; Tamaki, Hitoshi; Shibamoto, Yasuteru; Maruyama, Yu
Nihon Genshiryoku Gakkai-Shi ATOMO
, 66(11), p.565 - 569, 2024/11
no abstracts in English
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transitionsYang, Q.*; Yang, X.*; Wang, Y.*; Fei, Y.*; Li, F.*; Zheng, H.*; Li, K.*; Han, Y.*; Hattori, Takanori; Zhu, P.*; et al.
Nature Communications (Internet), 15, p.7778_1 - 7778_9, 2024/09
Times Cited Count：7 Percentile：85.13(Multidisciplinary Sciences)Luminescent materials that simultaneously embody bright singlet and triplet excitons hold great potential in optoelectronics, signage, and information encryption. However, achieving high-performance white-light emission is severely hampered by their inherent unbalanced contribution of fluorescence and phosphorescence. Herein, we address this challenge by pressure treatment engineering via hydrogen bonding cooperativity effect to realize the mixture of n-- transitions, where the triplet state emission was boosted from 7% to 40% in isophthalic acid (IPA). A superior white-light emission based on hybrid fluorescence and phosphorescence was harvested in pressure-treated IPA, and the photoluminescence quantum yield was increased to 75% from the initial 19% (blue-light emission). In-situ high-pressure IR spectra, X ray diffraction, and neutron diffraction reveal continuous strengthening of the hydrogen bonds with the increase of pressure. Furthermore, this enhanced hydrogen bond is retained down to the ambient conditions after pressure treatment, awarding the targeted IPA efficient intersystem crossing for balanced singlet/triplet excitons population and resulting in efficient white-light emission. This work not only proposes a route for brightening triplet states in organic small molecule, but also regulates the ratio of singlet and triplet excitons to construct high-performance white-light emission.
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
Times Cited Count：6 Percentile：97.93(Nuclear Science & Technology)
complex exhibiting intermolecular proton shifting coupled spin transitionJi, T.*; Su, S.*; Wu, S.*; Hori, Yuta*; Shigeta, Yasuteru*; Huang, Y.*; Zheng, W.*; Xu, W.*; Zhang, X.*; Kiyanagi, Ryoji; et al.
Angewandte Chemie; International Edition, 63(25), p.e202404843_1 - e202404843_6, 2024/04
Times Cited Count：0 Percentile：0.00(Chemistry, Multidisciplinary)Kubo, Kotaro; Zheng, X.; Tanaka, Yoichi; Tamaki, Hitoshi; Sugiyama, Tomoyuki; Jang, S.*; Takata, Takashi*; Yamaguchi, Akira*
Proceedings of the Institution of Mechanical Engineers, Part O; Journal of Risk and Reliability, 237(5), p.947 - 957, 2023/10
Times Cited Count：5 Percentile：56.05(Engineering, Multidisciplinary)Probabilistic risk assessment (PRA) is a method used to assess the risks associated with large and complex systems. However, the timing at which nuclear power plant structures, systems, and components are damaged is difficult to estimate if the risk of an external event is evaluated using conventional PRA based on event trees and fault trees. A methodology coupling thermal-hydraulic analysis with external event simulations using Risk Assessment with Plant Interactive Dynamics (RAPID) is therefore proposed to overcome this limitation. A flood propagation model based on Bernoulli's theorem was applied to represent internal flooding in the turbine building of the pressurized water reactor. Uncertainties were also taken into account, including the flow rate of the floodwater source and the failure criteria for the mitigation systems. The simulated recovery actions included the operator isolating the floodwater source and using a drainage pump; these actions were modeled using several simplifications. Overall, the results indicate that combining isolation and drainage can reduce the conditional core damage probability upon the occurrence of flooding by approximately 90%.
Zheng, X.*; Kato, Masaru*; Uemura, Yohei*; Matsumura, Daiju; Yagi, Ichizo*; Takahashi, Kiyonori*; Noro, Shinichiro*; Nakamura, Takayoshi*
Inorganic Chemistry, 62(3), p.1257 - 1263, 2023/01
Times Cited Count：8 Percentile：80.74(Chemistry, Inorganic & Nuclear)Zheng, X.; Tamaki, Hitoshi; Takahara, Shogo; Sugiyama, Tomoyuki; Maruyama, Yu
Proceedings of Probabilistic Safety Assessment and Management (PSAM16) (Internet), 10 Pages, 2022/09
Zheng, X.; Tamaki, Hitoshi; Sugiyama, Tomoyuki; Maruyama, Yu
Reliability Engineering & System Safety, 223, p.108503_1 - 108503_12, 2022/07
Times Cited Count：20 Percentile：81.89(Engineering, Industrial)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
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
Times Cited Count：14 Percentile：71.93(Chemistry, Physical)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.
Gao, D.*; Tang, X.*; Wang, X.*; Yang, X.*; Zhang, P.*; Che, G.*; Han, J.*; Hattori, Takanori; Wang, Y.*; Dong, X.*; et al.
Physical Chemistry Chemical Physics, 23(35), p.19503 - 19510, 2021/09
Times Cited Count：6 Percentile：37.87(Chemistry, Physical)Pressure-induced phase transition and polymerization of nitrogen-rich molecules are widely focused due to its extreme importance for the development of green high energy density materials. Here, we present a study of the phase transition and chemical reaction of 1H-tetrazole up to 100 GPa by using 
Raman, IR, X-ray diffraction, neutron diffraction techniques and theoretical calculation. A phase transition above 2.6 GPa was identified and the high-pressure structure was determined with one molecule in a unit cell. The 1H-tetrazole polymerizes reversibly below 100 GPa, probably through a carbon-nitrogen bonding instead of nitrogen-nitrogen bonding. Our studies updated the structure model of the high pressure phase of 1H-tetrazole, and presented the possible intermolecular bonding route for the first time, which gives new insights to understand the phase transition and chemical reaction of nitrogen-rich compounds, and benefit for designing new high energy density materials.
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.*; Nakajima, Kenji; et al.
Science China; Physics, Mechanics & Astronomy, 64(3), p.237411_1 - 237411_6, 2021/03
Times Cited Count：11 Percentile：67.90(Physics, Multidisciplinary)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
Times Cited Count：277 Percentile：99.77(Chemistry, Multidisciplinary)Lai, W.-H.*; Wang, H.*; Zheng, L.*; Jiang, Q.*; Yan, Z.-C.*; Wang, L.*; Yoshikawa, Hirofumi*; Matsumura, Daiju; Sun, Q.*; Wang, Y.-X.*; et al.
Angewandte Chemie; International Edition, 59(49), p.22171 - 22178, 2020/12
Times Cited Count：102 Percentile：95.81(Chemistry, Multidisciplinary)
