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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
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.
Yuan, X.*; Hu, Q. H.*; Fang, X.*; Wang, Q. M.*; Ma, Y.*; Tachi, Yukio
Sedimentary Geology, 465, p.106633_1 - 106633_14, 2024/05
Times Cited Count：0 Percentile：0.00(Geology)
-MgAgSbLi, J.*; Li, X.*; Zhang, Y.*; Zhu, J.*; Zhao, E.*; Kofu, Maiko; Nakajima, Kenji; Avdeev, M.*; Liu, P.-F.*; Sui, J.*; et al.
Applied Physics Reviews (Internet), 11(1), p.011406_1 - 011406_8, 2024/03
Times Cited Count：7 Percentile：97.43(Physics, Applied)Wang, Q.*; Ma, N.*; Huang, W.*; Shi, J.*; Luo, X.-T.*; Tomitaka, Sora*; Morooka, Satoshi; Watanabe, Makoto*
Materials Research Letters (Internet), 11(9), p.742 - 748, 2023/09
Times Cited Count：2 Percentile：32.09(Materials Science, Multidisciplinary)
SnSe
Ren, Q.*; Gupta, M. K.*; Jin, M.*; Ding, J.*; Wu, J.*; Chen, Z.*; Lin, S.*; Fabelo, O.*; Rodriguez-Velamazan, J. A.*; Kofu, Maiko; et al.
Nature Materials, 22(8), p.999 - 1006, 2023/08
Times Cited Count：54 Percentile：99.10(Chemistry, Physical)
Fe
intermetallic compoundCao, Y.*; Zhou, H.*; Khmelevskyi, S.*; Lin, K.*; Avdeev, M.*; Wang, C.-W.*; Wang, B.*; Hu, F.*; Kato, Kenichi*; Hattori, Takanori; et al.
Chemistry of Materials, 35(8), p.3249 - 3255, 2023/04
Times Cited Count：2 Percentile：32.09(Chemistry, Physical)Hydrostatic and chemical pressure are efficient stimuli to alter the crystal structure and are commonly used for tuning electronic and magnetic properties in materials science. However, chemical pressure is difficult to quantify and a clear correspondence between these two types of pressure is still lacking. Here, we study intermetallic candidates for a permanent magnet with a negative thermal expansion (NTE). Based on in situ synchrotron X-ray diffraction, negative chemical pressure is revealed in HoFe on Al doping and quantitatively evaluated by using temperature and pressure dependence of unit cell volume. A combination of magnetization and neutron diffraction measurements also allowed one to compare the effect of chemical pressure on magnetic ordering with that of hydrostatic pressure. Intriguingly, pressure can be used to control suppression and enhancement of NTE. Electronic structure calculations indicate that pressure affected the top of the majority band with respect to the Fermi level, which has implications for the magnetic stability, which in turn plays a critical role in modulating magnetism and NTE. This work presents a good example of understanding the effect of pressure and utilizing it to control properties of functional materials.
Yuan, X.*; Hu, Q.*; Lin, X.*; Zhao, C.*; Wang, Q.*; Tachi, Yukio; Fukatsu, Yuta; Hamamoto, Shoichiro*; Siitari-Kauppi, M.*; Li, X.*
Journal of Hydrology, 618, p.129172_1 - 129172_15, 2023/03
Times Cited Count：3 Percentile：41.12(Engineering, Civil)Lam, T.-N.*; Chin, H.-H.*; Zhang, X.*; Feng, R.*; Wang, H.*; Chiang, C.-Y.*; Lee, S. Y.*; Kawasaki, Takuro; Harjo, S.; Liaw, P. K.*; et al.
Acta Materialia, 245, p.118585_1 - 118585_9, 2023/02
Times Cited Count：19 Percentile：89.12(Materials Science, Multidisciplinary)Li, G.*; Duan, G.*; Liu, X.*; Wang, Z.
Moving Particle Semi-implicit Method; Recent Developments and Applications, 266 Pages, 2023/00
Wang, Q.*; Hu, Q.*; Zhao, C.*; Yang, X.*; Zhang, T.*; Ilavsky, J.*; Kuzmenko, I.*; Ma, B.*; Tachi, Yukio
International Journal of Coal Geology, 261, p.104093_1 - 104093_15, 2022/09
Times Cited Count：10 Percentile：75.62(Energy & Fuels)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：10 Percentile：62.66(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.
/La
Sr
MnO heterostructuresZhang, J.*; Chen, M.*; Chen, J.*; Yamamoto, Kei; Wang, H.*; Hamdi, M.*; Sun, Y.*; Wagner, K.*; He, W.*; Zhang, Y.*; et al.
Nature Communications (Internet), 12, p.7258_1 - 7258_8, 2021/12
Times Cited Count：19 Percentile：79.92(Multidisciplinary Sciences)MnGa thin films underneath a protection layerKono, Takashi*; Kakoki, Masaaki*; Yoshikawa, Tomoki*; Wang, X.*; Sumida, Kazuki; Muro, Takayuki*; Goto, Kazuki*; Sakuraba, Yuya*; Umetsu, Rie*; Kimura, Akio*
Physical Review B, 104(19), p.195112_1 - 195112_8, 2021/11
Times Cited Count：4 Percentile：27.66(Materials Science, Multidisciplinary)Angle-resolved photoelectron spectroscopy utilizing soft X-ray synchrotron radiation was applied to Heusler-type CoMnGa thin films that have a 1-nm Al capping layer. The bulk Fermi surfaces and band structures varied along the out-of-plane momentum, stemming from the three-dimensional crystal structure, in the absence of any in situ surface treatment. In addition, there were characteristic intersecting bands (Weyl cones), with crossing points near the Fermi level, which were consistent with computed results. The Weyl cones are of bulk origin and are responsible for the high anomalous Nernst and the anomalous Hall coefficients. A close comparison of the experimental band structures in CoMnGe and CoMnGa indicated that the rigid band picture is valid in both alloys and that fine carrier tuning is possible by replacing Ga with Ge to improve the anomalous conductivity.
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：5 Percentile：27.31(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.
Miao, P.*; Tan, Z.*; Lee, S. H.*; Ishikawa, Yoshihisa*; Torii, Shuki*; Yonemura, Masao*; Koda, Akihiro*; Komatsu, Kazuki*; Machida, Shinichi*; Sano, Asami; et al.
Physical Review B, 103(9), p.094302_1 - 094302_18, 2021/03
Times Cited Count：3 Percentile：20.23(Materials Science, Multidisciplinary)The layered perovskite PrBaCo
O
demonstrates a strong negative thermal expansion (NTE) which holds potential for being fabricated into composites with zero thermal expansion. The NTE was found to be intimately associated with the spontaneous magnetic ordering, known as magneto-volume effect (MVE). Here we report with compelling evidences that the continuous-like MVE in PrBaCoO is intrinsically of discontinuous character, originating from an magnetoelectric transition from an antiferromagnetic insulating large-volume (AFILV) phase to a ferromagnetic less-insulating small-volume (FLISV) phase. Furthermore, the magnetoelectric effect (ME) shows high sensitivity to multiple external stimuli such as temperature, carrier doping, hydrostatic pressure, magnetic field etc. In contrast to the well-known ME such as colossal magnetoresistance and multi-ferroic effect which involve symmetry breaking of crystal structure, the ME in the cobaltite is purely isostructural. Our discovery provides a new path way to realizing the ME as well as the NTE, which may find applications in new techniques.
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：28 Percentile：77.11(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
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.
particles triggered strong interaction with LaFeO framework for total and preferential CO oxidationZheng, Y.*; Xiao, H.*; Li, K.*; Wang, Y.*; Li, Y.*; Wei, Y.*; Zhu, X.*; Li, H.-W.*; Matsumura, Daiju; Guo, B.*; et al.
ACS Applied Materials & Interfaces, 12(37), p.42274 - 42284, 2020/09
Times Cited Count：26 Percentile：73.95(Nanoscience & Nanotechnology)Tomota, Yo*; Murakami, Toshio*; Wang, Y. X.*; Omura, Takahito*; Harjo, S.; Su, Y. H.; Shinohara, Takenao
Materials Characterization, 163, p.110243_1 - 110243_8, 2020/05
Times Cited Count：5 Percentile：33.34(Materials Science, Multidisciplinary)MnGe revealed by resonant photoelectron spectroscopyKono, Takashi*; Kakoki, Masaaki*; Yoshikawa, Tomoki*; Wang, X.*; Sumida, Kazuki*; Miyamoto, Koji*; Muro, Takayuki*; Takeda, Yukiharu; Saito, Yuji; Goto, Kazuki*; et al.
Physical Review B, 100(16), p.165120_1 - 165120_6, 2019/10
Times Cited Count：7 Percentile：33.40(Materials Science, Multidisciplinary)
BiSeWang, J.*; Ran, K.*; Li, S.*; Ma, Z.*; Bao, S.*; Cai, Z.*; Zhang, Y.*; Nakajima, Kenji; Kawamura, Seiko; 
erm
k, P.*; et al.
Nature Communications (Internet), 10, p.2802_1 - 2802_6, 2019/06
Times Cited Count：22 Percentile：78.46(Multidisciplinary Sciences)