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Kobayashi, Hiroki*; Komatsu, Kazuki*; Ito, Hayate*; Machida, Shinichi*; Hattori, Takanori; Kagi, Hiroyuki*
Journal of Physical Chemistry C, 130(25), p.8795 - 8805, 2026/06
Times Cited Count：0Ice IV, a metastable high-pressure phase of ice, rarely crystallizes from water and has therefore been called by a nickname, "will-o'-the-wisp," a tentative, ghostly form of ice. Here we report by experiments using water-in-oil emulsions that liquid water reproducibly and selectively crystallizes into ice IV at the homogeneous nucleation temperature (
) at pressures between 0.45 and 1.1 GPa. By tracking pressure-induced melting of ice Ih and immediate recrystallization, we show that liquid water preferentially crystallizes into ice IV even below . Thanks to high hydrostaticity and suppressed crystal growth in emulsified ice samples, reliable structure analyses for both ice IV and its potentially hydrogen-ordered state were achieved by neutron diffraction. The achievable degree of ordering in experiments was extremely low and nearly independent of the crystallization methods.
Wang, M.*; Tsuji, Takuya; Matsumura, Daiju; Sakaushi, Ken*; 9 of others*
Journal of Physical Chemistry C, 130(2), p.931 - 941, 2026/01
Times Cited Count：0 Percentile：0.00(Chemistry, Physical)Shinohara, Yuya*; Iwashita, Takuya*; Nakanishi, Masahiro*; Liu, Y.*; Cooper, V. R.*; Kofu, Maiko*; Nirei, Masami; Dmowski, W.*; Hickner, M. A.*; Egami, Takeshi*
Journal of Physical Chemistry B, 129(47), p.12330 - 12337, 2025/11
Times Cited Count：0 Percentile：0.00(Biophysics)Toda, Kanako*; Motokawa, Ryuhei; Saito, Takumi*
Journal of Physical Chemistry C, 129(36), p.16261 - 16271, 2025/09
Times Cited Count：1 Percentile：0.00(Chemistry, Physical)Guerinoni, E.*; Zemb, T.*; Motokawa, Ryuhei; Ueda, Yuki; Aoyagi, Noboru; Pellet-Rostaing, S.*; Dourdain, S.*
Journal of Physical Chemistry B, 129(32), p.8210 - 8217, 2025/08
Times Cited Count：2 Percentile：61.68(Biophysics)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), 16(10), p.2445 - 2451, 2025/03
Times Cited Count：3 Percentile：76.32(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.
Kato, Hiroyuki S.*; Muroyama, Mizuho*; Kobayakawa, Nano*; Muneyasu, Riku*; Tsuda, Yasutaka; Murase, Natsumi*; Watanabe, Seiya*; Yamada, Takashi*; Kanematsu, Yusuke*; Tachikawa, Masanori*; et al.
Journal of Physical Chemistry Letters (Internet), 15(43), p.10769 - 10776, 2024/10
Times Cited Count：2 Percentile：25.16(Chemistry, Physical)
7Kakiuchi, Takuhiro*; Anai, Ryota*; Saiki, Taiju*; Tsuda, Yasutaka; Yoshigoe, Akitaka
Journal of Physical Chemistry C, 128(31), p.13052 - 13063, 2024/08
Times Cited Count：1 Percentile：0.00(Chemistry, Physical)0xidation at the interface and the surface of Si(111) substrate with thin Hf films were studied using synchrotron radiation photoelectron spectroscopy in conjunction with supersonic oxygen molecular beams (SOMB). An Hf/Si(111) with a coverage of 0.5 monolayer (ML) included HfSi and HfSi
. Following exposures to thermal oxygen molecules with a translational energy (Et) of 0.03 eV, HfSi was oxidized into Hf
valence. Following SOMB irradiation with Et of 0.39 eV, the other HfSi could be oxidized into the Hf
. Following the thermal O
exposures, the metallic Hf was nonlocally oxidized to HfO via trapping-mediated dissociative adsorption. Meanwhile, the segregated Si atoms were oxidized by SOMB irradiation with 2.2 eV and SiO was generated on the surface.
molecule generation from dissociatively adsorbed water on TiO through photoexcitationKato, Koichi*; Nagatsuka, Naoki*; Fukutani, Katsuyuki
Journal of Physical Chemistry C, 128(20), p.8188 - 8198, 2024/05
Times Cited Count：3 Percentile：26.18(Chemistry, Physical)Kumada, Takayuki; Iwahara, Daisuke*; Nishitsuji, Shotaro*; Akutsu, Kazuhiro*; Miura, Daisuke; Motokawa, Ryuhei; Sugita, Tsuyoshi; Torikai, Naoya*; Amino, Naoya*; Oku, Takayuki; et al.
Journal of Physical Chemistry C, 128(21), p.8797 - 8802, 2024/05
Times Cited Count：6 Percentile：42.42(Chemistry, Physical)We elucidated the entanglement of polybutadiene and silane coupling agent (SCA) molecules bound to Si substrates using spin-contrast-variation (SCV) neutron reflectivity (NR). In an annealed integral blend film of polybutadiene and SCA, a SCA layer generated on the Si substrate was composed of 70 vol. percent SCA molecules extended perpendicularly from the silicon substrate and entangled with 30 vol. percent polybutadiene molecules. By contrast, in an SCA-precoated polybutadiene film, the SCA-precoated layer is composed of densely packed SCA molecules forming crystal-like structure, and thus did not become entangled with the postcoated polybutadiene molecules. This poor entanglement resulted in poor binding between polybutadiene and Si substrate.
Shinohara, Yuya*; Iwashita, Takuya*; Nakanishi, Masahiro*; Osti, N. C.*; Kofu, Maiko; Nirei, Masami; Dmowski, W.*; Egami, Takeshi*
Journal of Physical Chemistry B, 128(6), p.1544 - 1549, 2024/02
Times Cited Count：3 Percentile：41.30(Biophysics)Li, H.*; Zheng, Y.-H.*; Gates, W. P.*; Villacorta, F. J.*; Kawamura, Seiko; Kawakita, Yukinobu; Ikeda, Kazutaka*; Bordallo, H. N.*
Journal of Physical Chemistry A, 128(1), p.261 - 270, 2024/01
Times Cited Count：3 Percentile：23.65(Chemistry, Physical)Yu, C.*; Kawakita, Yukinobu; Kikuchi, Tatsuya*; Kofu, Maiko*; Honda, Takashi*; Zhang, Z.*; Zhang, Z.*; Liu, Y.*; Liu, S. F.*; Li, B.*
Journal of Physical Chemistry Letters (Internet), 15(1), p.329 - 338, 2024/01
Times Cited Count：2 Percentile：25.16(Chemistry, Physical)Okazaki, Hiroyuki*; Idesaki, Akira*; Koshikawa, Hiroshi*; Matsumura, Daiju; Ikeda, Takashi*; Yamamoto, Shunya*; Yamaki, Tetsuya*
Journal of Physical Chemistry C, 127(49), p.23628 - 23633, 2023/12
Times Cited Count：3 Percentile：17.01(Chemistry, Physical)Tsuji, Hayato*; Nakahata, Masaki*; Hishida, Mafumi*; Seto, Hideki*; Motokawa, Ryuhei; Inoue, Takeru*; Egawa, Yasunobu*
Journal of Physical Chemistry Letters (Internet), 14(49), p.11235 - 11241, 2023/12
Times Cited Count：19 Percentile：89.74(Chemistry, Physical)Tamura, Kazuhisa
Journal of Physical Chemistry C, 127(46), p.22733 - 22739, 2023/11
Times Cited Count：3 Percentile：17.01(Chemistry, Physical)The underpotential deposition of Bi on Au(111) electrode in 1 M HClO solution and 1-butyl-3-methylimidazolium tetrafluoroborate was investigated using visible light reflectance measurement and surface X-ray scattering techniques. The electrosorption valency of the UPD reaction of Bi was elucidated and it was found that in both 1 M HClO and 1-butyl-3-methylimidazolium tetrafluoroborate the electrosorption valency was smaller than 3, but the detail process in the UPD reaction was different between in two electrolytes. The difference may be originated from the difference in the solvation status of Bi rather than the electrical double layer structure.
neutron diffractionKobayashi, Hiroki*; Komatsu, Kazuki*; Ito, Hayate*; Machida, Shinichi*; Hattori, Takanori; Kagi, Hiroyuki*
Journal of Physical Chemistry Letters (Internet), 14(47), p.10664 - 10669, 2023/11
Times Cited Count：5 Percentile：23.65(Chemistry, Physical)Ice IV is a metastable high-pressure phase of ice in which the water molecules exhibit orientational disorder. Although orientational ordering is commonly observed for other ice phases, it has not been reported for ice IV. We conducted powder neutron diffraction experiments for DCl-doped DO ice IV to investigate hydrogen ordering in ice IV. We found abrupt changes in the temperature derivative of unit cell volume, dV/dT, at about 120 K, and revealed their slightly ordered structure at low temperatures based on the Rietveld method. The occupancy of the D1 site deviates from 0.5; it increased when samples were cooled at higher pressures and reached 0.282(5) at 2.38 GPa, 58 K. Our results evidence the presence of a low-symmetry hydrogen-ordered state corresponding to ice IV. It seems, however, difficult to experimentally access the completely ordered phase corresponding to ice IV by slow cooling at high pressure.
ortho-para conversion on a metal surface; Interplay between electron and phonon systemsUeta, Hirokazu; Fukutani, Katsuyuki
Journal of Physical Chemistry Letters (Internet), 14(34), p.7591 - 7596, 2023/08
Times Cited Count：3 Percentile：23.65(Chemistry, Physical)Kumada, Takayuki; Nakagawa, Hiroshi; Miura, Daisuke; Sekine, Yurina; Motokawa, Ryuhei; Hiroi, Kosuke; Inamura, Yasuhiro; Oku, Takayuki; Oishi, Kazuki*; Morikawa, Toshiaki*; et al.
Journal of Physical Chemistry Letters (Internet), 14(34), p.7638 - 7643, 2023/08
Times Cited Count：1 Percentile：5.73(Chemistry, Physical)The structure of nano-ice crystals in rapidly frozen glucose solution was elucidated by using spin-contrast-variation small-angle neutron scattering, which distinguishes the nano-ice crystal signal from the frozen amorphous solution signal by the polarization-dependent neutron scattering. The analysis revealed that the nano-ice crystals form a planar structure with a diameter exceeding tens of nanometers and a thickness of 1 nm, which is close to the critical nucleation size. This result suggests that the glucose molecules are preferentially bound to a specific face of nano-ice crystals, and then block the crystal growth perpendicular to that face.
Inagawa, Kohei*; Matsumura, Daiju; Taniguchi, Masashi*; Uegaki, Shinya*; Nakayama, Tomohito*; Urano, Junnosuke*; Aotani, Takuro*; Tanaka, Hirohisa*
Journal of Physical Chemistry C, 127(24), p.11542 - 11549, 2023/06
Times Cited Count：9 Percentile：50.17(Chemistry, Physical)