High-pressure polymerization of phenol toward degree-4 carbon nanothread

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

https://doi.org/10.1021/acs.nanolett.4c04895

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.

Quantitatively evaluating respective contribution of austenite and deformation-induced martensite to flow stress, plastic strain, and strain hardening rate in tensile deformed TRIP steel

Mao, W.; Gao, S.*; Gong, W.; Bai, Y.*; Harjo, S.; Park, M.-H.*; Shibata, Akinobu*; Tsuji, Nobuhiro*

Acta Materialia, 256, p.119139_1 - 119139_16, 2023/09

https://doi.org/10.1016/j.actamat.2023.119139

Transformation-induced plasticity (TRIP)-assisted steels exhibit an excellent combination of strength and ductility due to enhanced strain hardening rate associated with deformation-induced martensitic transformation (DIMT). Quantitative evaluation on the role of DIMT in strain hardening behavior of TRIP-assisted steels and alloys can provide guidance for designing advanced materials with strength and ductility synergy, which is, however, difficult since the phase composition keeps changing and both stress and plastic strain are dynamically partitioned among constituent phases during deformation. In the present study, tensile deformation with neutron diffraction measurement was performed on an Fe-24Ni-0.3C (wt.%) TRIP-assisted austenitic steel. The analysis method based on stress partitioning and phase fractions measured by neutron diffraction was proposed, by which the tensile flow stress and the strain hardening rate of the specimen were resolved into factors associated with each phase, i.e., the austenite matrix, deformation-induced martensite, and the transformation rate of DIMT after differentiation, and then the role of each factor in the global strain hardening behavior was discussed. In addition, the plastic strain partitioning between austenite and martensite was indirectly estimated using the dislocation density measured by diffraction profile analysis, which constructed the full picture of stress and strain partitioning between austenite and martensite in the material. The results suggested that both the transformation rate and the phase stress borne by the deformation-induced martensite played important roles in the global tensile properties of the material. The proposed decomposition analysis method could be widely applied to investigating mechanical behavior of multi-phase alloys exhibiting the TRIP phenomenon.

Magnetic and structure transition of MnFeO solid solutions under high-pressure and high-temperature conditions

Yamanaka, Takamitsu*; Hirao, Naohisa*; Nakamoto, Yuki*; Mikouchi, Takashi*; Hattori, Takanori; Komatsu, Kazuki*; Mao, H.-K.*

Physics and Chemistry of Minerals, 49(10), p.41_1 - 41_14, 2022/10

https://doi.org/10.1007/s00269-022-01215-4

Magnetic and crystal structure of MnFeO solid solutions under high-PT conditions are investigated by neutron diffraction and synchrotron Mssbauer spectroscopy. The ferrimagnetic-paramagnetic transition and tetragonal-cubic transition of MnFeO spinel occur at 100C and 180C, respectively, suggesting both the transitions are not coupled. The structure transition temperature decreases with pressure. Mssbauer experiments and neutron diffraction revealed that the Fe occupancy in tetrahedral site increases increase with pressure, suggesting MnFeO phase approaches inverse spinel. Magnetic structure refinement clarified paramagnetic and ferrimagnetic structure of MnFeO and MnFeO. These spinels transform into high-pressure orthorhombic phases at 18.4 and 14.0 GPa, respectively, indicating lower transition pressure with increasing Mn content.

Anisotropic magnon damping by zero-temperature quantum fluctuations in ferromagnetic CrGeTe

Chen, L.*; Mao, C.*; Chung, J.-H.*; Stone, M. B.*; Kolesnikov, A. I.*; Wang, X.*; Murai, Naoki; Gao, B.*; Delaire, O.*; Dai, P.*

Nature Communications (Internet), 13, p.4037_1 - 4037_7, 2022/07

https://doi.org/10.1038/s41467-022-31612-w

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

https://doi.org/10.1021/acs.jpclett.1c03734

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.

Suppressed lattice disorder for large emission enhancement and structural robustness in hybrid lead iodide perovskite discovered by high-pressure isotope effect

Kong, L.*; Gong, J.*; Hu, Q.*; Capitani, F.*; Celeste, A.*; Hattori, Takanori; Sano, Asami; Li, N.*; Yang, W.*; Liu, G.*; et al.

Advanced Functional Materials, 31(9), p.2009131_1 - 2009131_12, 2021/02

https://doi.org/10.1002/adfm.202009131

The soft nature of organic-inorganic halide perovskites renders their lattice particularly tunable to external stimuli such as pressure, undoubtedly offering an effective way to modify their structure for extraordinary optoelectronic properties. However, these soft materials meanwhile feature a general characteristic that even a very mild pressure will lead to detrimental lattice distortion and weaken the critical light-matter interaction, thereby triggering the performance degradation. Here, using the methylammonium lead iodide as a representative exploratory platform, we observed the pressure-driven lattice disorder can be significantly suppressed via hydrogen isotope effect, which is crucial for better optical and mechanical properties previously unattainable.

Excited baryons and fine structure of strong interaction

Chen, H.-X.*; Cui, E.-L.*; Hosaka, Atsushi; Mao, Q.*; Yang, H.-M.*

European Physical Journal C, 80(3), p.256_1 - 256_6, 2020/03

https://doi.org/10.1140/epjc/s10052-020-7824-y

Pressure-induced Diels-Alder reactions in CH - CF 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

https://doi.org/10.1002/anie.201813120

Pressure-induced polymerization (PIP) of aromatics is a novel method to construct sp-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.

Synthesis, structure, and pressure-induced polymerization of LiFe(CN) 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

https://doi.org/10.1021/acs.inorgchem.5b01851

Pressure-induced polymerization of triple bonds would produce conductive conjugated double bonds. To find a metal cyanide with a low polymerization pressure, anhydrous LiFe(CN) 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 LiFe(CN) a potential cathode material for rechargeable lithium batteries.

Event structure and double helicity asymmetry in jet production from polarized collisions at = 200 GeV

Adare, A.*; Afanasiev, S.*; Aidala, C.*; Ajitanand, N. N.*; Akiba, Y.*; Al-Bataineh, H.*; Alexander, J.*; Aoki, K.*; Aphecetche, L.*; Armendariz, R.*; et al.

Physical Review D, 84(1), p.012006_1 - 012006_18, 2011/07

https://doi.org/10.1103/PhysRevD.84.012006

We report on the event structure and double helicity asymmetry () of jet production in longitudinally polarized collisions at = 200 GeV. Photons and charged particles were measured by the PHENIX experiment. Event structure was compared with the results from PYTHIA event generator. The production rate of reconstructed jets is satisfactorily reproduced with the next-to-leading-order perturbative QCD calculation. We measured = -0.0014 0.0037 at the lowest bin and -0.0181 0.0282 at the highest bin. The measured is compared with the predictions that assume various distributions.