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Journal Articles

Crystalline fully carboxylated polyacetylene obtained under high pressure as a Li-ion battery anode material

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:4 Percentile:42.16(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.

Journal Articles

Phase transition and chemical reactivity of 1H-tetrazole under high pressure up to 100 GPa

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:4 Percentile:53.02(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 ${it in situ}$ 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.

Journal Articles

Field-tuned magnetic structure and phase diagram of the honeycomb magnet YbCl$$_3$$

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:3 Percentile:52.75(Physics, Multidisciplinary)

Journal Articles

Coordination number regulation of molybdenum single-atom nanozyme peroxidase-like specificity

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:121 Percentile:99.8(Chemistry, Multidisciplinary)

Journal Articles

General synthesis of single-atom catalysts for hydrogen evolution reactions and room-temperature Na-S batteries

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:59 Percentile:95.97(Chemistry, Multidisciplinary)

Journal Articles

$$^{rm 208,207,206,nat}$$Pb(p,x)$$^{207}$$Bi and $$^{209}$$Bi(p,x)$$^{207}$$Bi excitation functions in the energy range of 0.04 - 2.6 GeV

Titarenko, Yu. E.*; Batyaev, V. F.*; Pavlov, K. V.*; Titarenko, A. Yu.*; Malinovskiy, S. V.*; Rogov, V. I.*; Zhivun, V. M.*; Kulevoy, T. V.*; Chauzova, M. V.*; Lushin, S. V.*; et al.

Nuclear Instruments and Methods in Physics Research A, 984, p.164635_1 - 164635_8, 2020/12

 Times Cited Count:2 Percentile:31.95(Instruments & Instrumentation)

The paper presents the $$^{207}$$Bi production cross-sections measured by the direct gamma-spectrometry technique in the samples of lead enriched with isotopes 208, 207 and 206, as well as in the samples of natural lead and bismuth, irradiated by protons of 11 energies in the range from 0.04 to 2.6 GeV. The obtained experimental results are compared with the previous measurements, with the TENDL-2019 data-library evaluations and the simulated data by means of the high-energy transport codes MCNP6.1 (CEM03.03), PHITS (INCL4.6/GEM), and Geant4 (INCL++/ABLA). The observed discrepancies between model predictions and experimental data are discussed.

Journal Articles

Distance-selected topochemical dehydro-diels-alder reaction of 1,4-Diphenylbutadiyne toward crystalline graphitic nanoribbons

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:15 Percentile:72.59(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${AA}$ 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.

Journal Articles

Ultra-fine CeO$$_{2}$$ particles triggered strong interaction with LaFeO$$_{3}$$ framework for total and preferential CO oxidation

Zheng, 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:17 Percentile:73.89(Nanoscience & Nanotechnology)

Journal Articles

Pressure-induced Diels-Alder reactions in C$$_{6}$$H$$_{6}$$ - C$$_{6}$$F$$_{6}$$ cocrystal towards graphane structure

Wang, 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

 Times Cited Count:28 Percentile:80.12(Chemistry, Multidisciplinary)

Pressure-induced polymerization (PIP) of aromatics is a novel method to construct sp$$^{3}$$-carbon frameworks, and nanothreads with diamond-like structures were synthesized by compressing benzene and its derivatives. Here by compressing benzene-hexafluorobenzene cocrystal(CHCF), we identified H-F-substituted graphane with a layered structure in the PIP product. Based on the crystal structure determined from the in situ neutron diffraction and the intermediate products identified by the gas chromatography-mass spectrum, we found that at 20 GPa CHCF forms tilted columns with benzene and hexafluorobenzene stacked alternatively, which leads to a [4+2] polymer, and then transfers to short-range ordered hydrogenated-fluorinated graphane. The reaction process contains [4+2] Diels-Alder, retro-Diels-Alder, and 1-1' coupling, and the former is the key reaction in the PIP. Our studies confirmed the elemental reactions of the CHCF for the first time, which provides a novel insight into the PIP of aromatics.

Journal Articles

Phase transitions and polymerization of C$$_{6}$$H$$_{6}$$-C$$_{6}$$F$$_{6}$$ cocrystal under extreme conditions

Wang, Y.*; Wang, L.*; Zheng, H.*; Li, K.*; Andrzejewski, M.*; Hattori, Takanori; Sano, Asami; Katrusiak, A.*; Meng, Y.*; Liao, F.*; et al.

Journal of Physical Chemistry C, 120(51), p.29510 - 29519, 2016/12

 Times Cited Count:22 Percentile:62.25(Chemistry, Physical)

Pressure-induced polymerization (PIP) of aromatic molecules can generate saturated carbon nanostructures. As a strongly interacted $$pi$$-$$pi$$ stacking unit, the C$$_{6}$$H$$_{6}$$-C$$_{6}$$F$$_{6}$$ adduct is widely applied in supramolecular chemistry, and it provides a good preorganization for the PIP. Here we investigated the structural variation of C$$_{6}$$H$$_{6}$$-C$$_{6}$$F$$_{6}$$ cocrystal and the subsequent PIP process under high pressure. Four new molecular-complex phases V, VI, VII, and VIII have been identified and characterized by the in situ Raman, IR, synchrotron X-ray, and neutron diffraction. The phase V is different from the phases observed at low temperature, which has a tilted column structure. Phases VI and VII have a structure similar to phase V. Phase VIII polymerizes irreversibly upon compression above 25 GPa without any catalyst, producing sp$$^{3}$$(CH/F)$$_{n}$$ materials. The $$pi$$-$$pi$$ interaction is still dominant below 0.5 GPa but is most likely to be overstepped under further compression, which is important for discussing the supramolecular phase transition and the polymerization process.

Journal Articles

Synthesis, structure, and pressure-induced polymerization of Li$$_{3}$$Fe(CN)$$_{6}$$ accompanied with enhanced conductivity

Li, K.*; Zheng, H.*; Hattori, Takanori; Sano, Asami; Tulk, C. A.*; Molaison, J.*; Feygenson, M.*; Ivanov, I. N.*; Yang, W.*; Mao, H.-K.*

Inorganic Chemistry, 54(23), p.11276 - 11282, 2015/12

 Times Cited Count:5 Percentile:27.43(Chemistry, Inorganic & Nuclear)

Pressure-induced polymerization of triple bonds would produce conductive conjugated double bonds. To find a metal cyanide with a low polymerization pressure, anhydrous Li$$_{3}$$Fe(CN)$$_{6}$$ is synthesized and its crystal structure is determined. The irreversible bonding between the CN$$^{-}$$ can be realized by use of the industrial apparatus. The conductivity is enhanced by more than 3 orders of magnitude, which makes the polymerized Li$$_{3}$$Fe(CN)$$_{6}$$ a potential cathode material for rechargeable lithium batteries.

Journal Articles

In-beam $$gamma$$ spectroscopy of the even-even nucleus $$^{190}$$Pt

Li, G. S.*; Liu, M. L.*; Zhou, X. H.*; Zhang, Y. H.*; Liu, Y. X.*; Zhang, N. T.*; Hua, W.*; Zheng, Y. D.*; Fang, Y. D.*; Guo, S.*; et al.

Physical Review C, 89(5), p.054303_1 - 054303_9, 2014/05

 Times Cited Count:5 Percentile:39.47(Physics, Nuclear)

High-spin states of $$^{190}$$Pt have been reinvestigated using the $$^{176}$$Yb($$^{18}$$O, 4$$n$$) reaction at a beam energy of 88 MeV. The previously known positive parity band associated with the $$nu$$ $$i^{-2}_{13/2}$$ $$nu$$ $$h^{-1}_{9/2}$$ $$nu$$ $$j^{-1}$$ ($$nu j$$ being $$nu p_{3/2}$$ or $$nu f_{5/2}$$) configuration has been revised and extended significantly. A new negative parity band has been established and proposed to be based on the $$nu$$ $$i^{-3}_{13/2}$$ $$nu$$ $$j^{-1}$$ configuration. Possible structure evolution of the yrast line from predominantly vibrational to rotational with increasing spin is discussed with the help of E$$_gamma$$ over spin curves. Additionally, calculations of Total Routhian surfaces have been performed to investigate the band properties.

Journal Articles

High-j proton alignments in $$^{101}$$Pd

Zhou, H. B.*; Zhou, X. H.*; Zhang, Y. H.*; Zheng, Y.*; Liu, M. L.*; Zhang, N. T.*; Chen, L.*; Wang, S. T.*; Li, G. S.*; Wang, H. X.*; et al.

European Physical Journal A, 47(9), p.107_1 - 107_7, 2011/09

 Times Cited Count:4 Percentile:33.51(Physics, Nuclear)

High-spin states in $$^{101}$$Pd have been investigated by means of in-beam $$gamma$$-ray spectroscopic techniques. The previously known $$d$$$$_{5/2}$$ and 1/2$$^-$$[550] bands were extended to higher spins. The band crossings observed experimentally are explained by the alignment of $$g$$$$_{9/2}$$ protons. The band properties in $$^{101}$$Pd are compared with those in the neighboring nuclei and are discussed within the framework of the cranked shell model.

Journal Articles

Signature inversion in the 7/2$$^-$$[503] band of $$^{185}$$Pt

Li, G. S.*; Zhou, X. H.*; Zhang, Y. H.*; Zheng, Y.*; Liu, M. L.*; Hua, W.*; Zhou, H. B.*; Ding, B.*; Wang, H. X.*; Lei, X. G.*; et al.

Journal of Physics G; Nuclear and Particle Physics, 38(9), p.095105_1 - 095105_9, 2011/09

 Times Cited Count:1 Percentile:12.08(Physics, Nuclear)

High-spin states in $$^{185}$$Pt have been investigated by means of in beam $$gamma$$-ray spectroscopic method at the JAEA tandem facility. Low-spin signature inversion is revealed in the 7/2$$^-$$[503] band. The inversion can be interpreted as a configuration change from the 7/2$$^-$$[503] orbital to the 7/2$$^-$$[514] orbital with increasing spin, which is supported by a theoretical calculation of the semi-classical Donau and Frauendorf approach.

Journal Articles

Multi-quasiparticle excitations in $$^{145}$$Tb

Zheng, Y.*; Zhou, X. H.*; Zhang, Y. H.*; Hayakawa, Takehito; Oshima, Masumi; Toh, Yosuke; Shizuma, Toshiyuki; Katakura, Junichi; Hatsukawa, Yuichi; Matsuda, Makoto; et al.

Journal of Physics G; Nuclear and Particle Physics, 30(4), p.465 - 479, 2004/04

 Times Cited Count:8 Percentile:48.54(Physics, Nuclear)

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