2023

  1. Density of molten Y2O3 measured with the electrostatic levitation furnace in the International Space Station,
    H. Oda, R. Shimonishi, C. Koyama, T. Ito, T. Ishikawa,
    High Temp. - High Press., 52, 341-350, (2023). (doi:10.32908/hthp.v52.1375.)
  2. Constant Pressure Heat Capacity of Molten Yttrium Measured by an Electrostatic Levitator,
    T. Ishikawa, Y. Watanabe, C. Koyama, R. Ikeuchi, P.-F. Paradis,
    Int. J. Microgravity Sci. Appl., 40, 400201, (2023). (doi:10.15011/jasma.40.400201)
  3. Valence and local structure analyses of Eu and Dy ions in Sr2MgSi2O7:Eu, Dy long persistent phosphorescence phosphors synthesized by solid state reaction,
    M. Kitaura, S. Watanabe, H. Masai, T. Ina, H. Setoyama, M. Ishizaki, T. Nakanishi, Y. Matsushima, T. Kunimoto, A. Ohnishi,
    Chemistry letters, 52, 190-193, (2023). (doi:10.1246/cl.230013)
  4. Temperature dependent local inhomogeneity and magnetic moments of (Li1-xFex)OHFeSe superconductors,
    G. Tomassucci, L. Tortora, G. M. Pugliese,1 F. Stramaglia, L. Simonelli, C. Marini, K. Terashima, T. Wakita, S. Ayukawa, T. Yokoya, K. Kudo, M. Nohara, T. Mizokawa, N. L. Saini,
    Phys. Chem. Chem. Phys, 25, 6684-6692, (2023). (doi:10.1039/d3cp00004d)
  5. Photoelectron Holography Study of La(O,F)BiS2,
    Y.-J. Li, Z.-X. Sun, N. Kataoka, T. Setoguchi, Y. Hashimoto, S. Takeuchi, S. Koga, S. Demura, K. Noguchi, H. Sakata, Y. Mizuguchi, T. Matsushita, T. Wakita, Y. Muraoka, T. Yokoya,
    J. Phys. Soc. Jpn, 92, 44801, (2023). (doi:10.7566/JPSJ.92.044801)
  6. Ring compaction as a mechanism of densification in amorphous network-forming systems,
    P. S. Salmon, A. Zeidler, M.i Shiga, Y. Onodera and S.i Kohara,
    Physical Review B, 107, 144203, (2023). (doi:10.1103/PhysRevB.107.144203)
  7. Chemical states of PVD-ZrS2 film underneath scaled high-k film with self-oxidized ZrO2 film as interfacial layer,
    Masaki Otomo† , Masaya Hamada , Ryo Ono, Iriya Muneta , Kuniyuki Kakushima , Kazuo Tsutsui , and Hitoshi Wakabayashi*,
    Japanese Journal of Applied Physics 62, SC1015 (2023), 62, SC1015, (2023). (doi:10.35848/1347-4065/aca7cf)
  8. Control of Competitive Structure-Directing Effect in CON-type Zeolite Synthesis via Intermediate Addition Method ,
    Takumi Shibuya, Kenta Iyoki, Hiroaki Onozuka, Masanori Takemoto, Susumu Tsutsuminai, Takahiko Takewaki, Toru Wakihara, Tatsuya Okubo,,
    Crystal Growth & Design, 23, 3509−3517, (2023). (doi:10.1021/acs.cgd.3c00040)
  9. Accelerated Crystallization of LTA Zeolite Using a Combination of High-Silica FAU Zeolite with Low Crystallinity and Additional Al Sources ,
    Yuki Yoshida, Yuki Sada, Tsuneji Sano, Tatsuya Okubo, Toru Wakihara, ,
    Crystal Growth & Design, 23, 2231–2238, (2023). (doi:10.1021/acs.cgd.2c01277)
  10. Amorphous aluminosilicates as efficient ion exchangers for ammonium cation removal from aqueous solutions ,
    Raquel Simancas, Masamori Takemura, Ching-Tien Chen, Kenta Iyoki, Tatsuya. Okubo, Toru Wakihara, ,
    Journal of Non-Crystalline Solids, 605, 122172, (2023). (doi:10.1016/j.jnoncrysol.2023.122172)
  11. Direct Observation of Group-V Dopant Substitutional Defect in CdTe Single Crystals,
    A. Nagaoka, K. Kimura, A. K. R. Y. Ang, Takabayashi, K. Yoshino, Q. Sun, B. Dou, S.-H. Wei, K. Hayashi, K. Nishioka,
    J. Am. Chem. Soc. , 145, 9191-9197, (2023). (doi:10.1021/jacs.3c01248)
  12. Unraveling binding mechanism and stability of urease inhibitors: A QM/MM MD study,
    S. Suenaga, Y. Takano, T. Saito,
    Molecules, 28, 2697, (2023). (doi:10.3390/molecules28062697)
  13. The quantitative study of methane adsorption on the Pt(997) step surface as the initial process for reforming reactions,
    Y. H. Choi, S. E. M. Putra, Y. Shiozawa, S. Tanaka, K. Mukai, I. Hamada, Y. Morikawa, J. Yoshinobu,
    Surface Science, 732, 122284, (2023). (doi:10.1016/j.susc.2023.122284)
  14. Random forest classifier of heme proteins using porphyrin distortions and axial ligands of heme,
    H. Fujikawa, H. X. Kondo, Y. Kanematsu, Y. Takano,
    Chemistry Letters, 52, 503-507, (2023). (doi:10.1246/cl.230150)
  15. Computational survey of humin formation from 5-(hydroxymethyl)furfural under basic conditions,
    Keisuke Tashiro, Masato Kobayashi, Kiyotaka Nakajima, Tetsuya Taketsugu,
    RSC Advances, 13, 16293-16299, (2023). (doi:10.1039/D3RA02870D)
  16. Pressure dependence of superconductivity in alkaline earth
    metal-doped FeSe: toward completion of the phase diagram of
    superconducting transition temperature versus FeSe layer distance    ,
    Mitsuki Ikeda, Huan Li, Zhiyan Zhang, Yuki Yamamoto, Hidenori Goto, Ritsuko Eguchi, Hirofumi Ishii, Yen-Fa Liao, Yasuhiro Takabayashi, Koichi Hayashi, and Yoshihiro Kubozono,
    Chemistry of Materials, 35, 4338–4346, (2023). (doi:10.1021/acs.chemmater.3c00391)
  17. Pressure dependence of superconductivity in charge-density-wave superconductor Bi2Rh3Se2,
    Mitsuki Ikeda, Zhiyan Zhang, Hidenori Goto, Ritsuko Eguchi, Yen-Fa Liao, Hirofumi Ishii, and Yoshihiro Kubozono,
    Inorganic Chemistry, 62, 7453-7460, (2023). (doi:10.1021/acs.inorgchem.3c00744)
  18. Single Crystal Growth with Flux Method and Local Structure Analysis around Fe Using X-ray Fluorescence Holography for Multiferroic Pb(Fe1/2Ta1/2)O3,
    Y. Inoue, K. Kimura, M. Maruyama, N. Happo, T. Asaka, M. Iwata, T. Matsushita, K. Hayashi,
    e-J. Surf. Sci. Nanotechnol., 21, 183-187, (2023). (doi:10.1380/ejssnt.2023-048)
  19. Local Structures of Fe 0.08Co 0.92 Studied by X-ray Fluorescence Holography,
    Y. Fukui,a T. Kanno, K. Yamakawa, H. Nakada, Y. Kobayashi, K. Widyanisa, Y. Tomimatsu, K. Kimura, T. Shishido, N. Happo, K. Ohoyama, K. Hayashi,
    e-J. Surf. Sci. Nanotechnol., 21, (2023). (in press)
  20. Origin of Unexpected Ir3+ in a Superconducting Candidate Sr2IrO4 System Analyzed by Photoelectron Holography,
    Rie Horie, Tomohiro Matsushita, Sota Kawamura, Tsubasa Hase, Kazumasa Horigane, Hiroki Momono, Soichiro Takeuchi, Masaki Tanaka, Hiroto Tomita, Yusuke Hashimoto, Kaya Kobayashi, Yuichi Haruyama, Hiroshi Daimon*,
    Inorganic Chemistry, 62, 10897-10904, (2023). (doi:10.1021/acs.inorgchem.2c03788)
  21. Direct microwave energy input on a single cation for outstanding selective catalysis,
    F. Kishimoto, T. Yoshioka, R. Ishibashi, H. Yamada, K. Muraoka, H. Taniguchi, T. Wakihara, K. Takanabe.,
    Science Advances, eadi1744, (2023). (doi:10.1126/sciadv.adi1744)
  22. Prediction of Born effective charges using neural network to study ion migration under electric fields: applications to crystalline and amorphous Li3PO4,
    K. Shimizu, R. Otsuka, M. Hara, E. Minamitani, S. Watanabe,
    Science and Technology of Advanced Materials: Methods, nan, nan, (nan). (doi:nan)
  23. Impact of Mn doping on ferroelectric photovoltaic effect in multidomain BiFeO3 thin films under above-bandgap illumination,
    H. Matsuo, Y. Noguchi,
    Japanese Journal of Applied Physics, 62, SM1011, (2023). (doi:10.35848/1347-4065/ace5b6)
  24. Atomic and electronic structures on a mordenite zeolite,
    S. Hosokawa, H. Sato, Y. Tezuka, J. Adachi, K. Kimura, K. Hayashi, S. Kohara, H. Tajiri, K. Kobayashi, A. Koura, and F. Shimojo,
    e-Journal of Surface Science and Nanotechnology, nan, nan, (nan). (doi:nan)
  25. Persistent homology-based descriptor for machine-learning potential of amorphous structures,
    E. Minamitani, I. Obayashi, K. Shimizu, S. Watanabe,
    The Journal of Chemical Physics, 159, 084101 1-12, (2023). (doi:10.1063/5.0159349)
  26. Molecular Dynamics Studies of the Ho(III) Aqua-tris(dibenzoylmethane) Complex: Role of Water Dynamics,
    T. Ohkubo, N. Komiyama, H. Masu, K. Kishikawa, M. Kohri,
    Inorg. Chem, 62, 11897-11909, (2023). (doi:doi.org/10.1021/acs.inorgchem.3c01277)
  27. Structure Determination in a new Type of Amorphous Molecular Solids with Different Nonlinear Optical Properties: A Comparative Structural Analysis,
    J. Link Vasco, J. R. Stellhorn, B. D. Klee, J. Belz, J. Haust, S. Hosokawa, S. Hayakawa, K. Volz, S. Dehnen, W.-C. Pilgrim,
    Journal of Physics: Condensed Matter, 35, 384001-1-10, (2023). (doi:10.1088/1361-648X/acda06)
  28. Local atomic structure of V-doped BiFeO3 thin films measured by X-ray fluorescence holography,
    K. Arima, S. Nakashima, K. Kimura, K. Hayashi, N. Happo and H. Fujisawa,
    Japanese Journal of Applied Physics, 62, SM11017-1-5, (2023). (doi:10.35848/1347-4065/ace728)
  29. Reproducing Reaction Route Map on the Shape Space from Its Quotient by Complete Nuclear Permutation-Inversion Group,
    H. Teramoto, T. Saito, M. Aoki, B. Murayama, M. Kobayashi, T. Nakamura, and T. Taketsugu,
    Journal of Chemical Theory and Computation, nan, nan, (nan). (doi:10.1021/acs.jctc.3c00500)
  30. SnO2–CuO heterostructured nanofibers for enhanced NH3-gas-sensing performance and potential application in breath analysis,
    C. Zang, K. Ma, Y. Yano, S. Li, H. Yamahara , M. Seki, T. Iizuka, and H. Tabata,
    IEEE Sensors Journal, 23, 17925-17931, (2023). (doi:10.1109/JSEN.2023.3294409)
  31. Re-estimation of Maxwell-Wagner relaxation for novel absorbers via (Ta+Ga)-doped rutile-type TiO2 ceramics with various valence proportions and sintering temperatures,
    T. Kuwano, Y. Hashimoto, K. Deguchi, and H. Taniguchi,
    J. Alloys Compd., 966, 171624, (2023). (doi:10.1016/j.jallcom.2023.171624)
  32. Correlation between electronic structure and emergence of superconductivity in Bi2-xSbxTe3-ySery (y~1.2) studied by x-ray emission sepctroscopy and density functional theory,
    H. Yamaoka, H. O. Jeschke, H. Li, T. He, N. Tsujii, N. Hiraoka, H. Ishii, H. Goto, and Y. Kubozono,
    Physical Review B, 108, 35146, (2023). (doi:10.1013/PhysRevB.108.035146)
  33. Ｍultiple-site Ａg doping in Ｂi２Ｓe３: Ｃompositional crossover from substitution to intercalation as revealed by photoelectron diffraction and X-ray fluorescence holography ,
    Ｆ. Ｍatsui, Ｈ. Ｏta, Ｒ. Ｅguchi, Ｈ. Ｇoto, Ｋ. Ｋobayashi, Ｊ. Ａkimitsu, Ｈ. Ｏzaki, Ｔ.  Nishioka, K. Kimura, K. Hayashi, T. Shimano, N. Happo, and Y. Kubozono,
    J. Electron Spectroscopy Related Phenom,ena, 264, 147295, (2023). (doi:10.1016/j.elespec.2023.147295)
  34. Effects of environment-controlled post-annealing on dielectric properties of Nb+X (X = Al, Ga, In) co-doped and Nb-doped rutile-type TiO2 single crystals,
    S. Kakimoto, Y. Hashimoto, T. Kuwano, K. Kimura, K. Hayashi, M. Hagiwara, K. Deguchi, and H. Taniguchi,
    J. Mater. Chem. C, 11, 1304-1310, (2023). (doi:10.1039/D2TC03914A)
  35. Atom-Selective Analyses Reveal the Structure-Directing Effect of Cs Cation on the Synthesis of Zeolites,
    Hiroki Yamada, Hirofumi Horikawa, Chokkalingam Anand, Koji Ohara, Toshiaki Ina, Akihiko Machida, Satoshi Tominaka, Tatsuya Okubo, Zhendong Liu, Kenta Iyoki, Toru Wakihara,
    The Journal of Physical Chemistry Letters, 14, 3574-3580, (2023). (doi:10.1021/acs.jpclett.3c00432)
  36. Mechanism of Al coordination change in alkaline-earth aluminosilicate glasses: An application of bond valence model”,
    Sohei Sukenaga, Koji Kanehashi, Hiroki Yamada, Koji Ohara, Toru Wakihara, Hiroyuki Shibata,
    ISIJ International, 63, 1263-1266, (2023). (doi:10.2355/isijinternational.ISIJINT-2022-398)
  37. Large-Scale Production of Nano-sized LTA-Type Zeolite Particles by Beads-Milling and Recrystallization Method,
    Shinya Yamamoto, Hidenobu Murata, Toru Wakihara, Atsushi Nakahira,
    Journal of the Ceramic Society of Japan, (in press)
  38. Atomic and electronic structures of an Ag-containing 4A zeolite,
    S. Hosokawa, K. Kobayashi, A. Koura, F. Shimojo, Y. Tezuka, J.i Adachi, Y. Onodera, S. Kohara, H. Tajiri, A. Chokkalingamh, and T. Wakihara,
    Microporous and Mesoporous Materials, 359, 112662-1-8, (2023). (doi:10.1016/j.micromeso.2023.112662)
  39. Structural origins of the unusual thermal stability of amorphous CuxGe50−xTe50 (0 ≤ x ≤ 33.3),
    J. R. Stellhorn, B. D. Klee, M. Inui, H. Taniguchi, Y. Sutou, S. Hosokawa, and W.-C. Pilgrim,
    Journal of Physics: Condensed Matter, 35, 304004-1-7, (2023). (doi:10.1088/1361-648X/acce13)
  40. Collective excitations in a melt of fast phase change material GeCu2Te3,
    M. Inui, S. Hosokawa, S. Tsutsui, Y. Nakajima, K. Matsuda, K. Maruyama and A. Q. R. Baron,
    Journal of Physics: Condensed Matter, 35, 234002-1-7, (2023). (doi:10.1088/1361-648X/acc2ff)
  41. Ring compaction as a mechanism of densification in amorphous silica,
    P. S. Salmon, A. Zeidler, M. Shiga, Y. Onodera, S. Kohara,
    Physical Review B, 107, 144203, (2023). (doi:https://doi.org/10.1103/PhysRevB.107.144203)
  42. Atomic structure of ZrO2-doped Li2O–SiO2-based multi-component glasses revealed by molecular dynamics–reverse Monte Carlo modeling,
    R. Toyoda, K. Usui, T. Hirota, K. Kimura, Y. Onodera, M. R. Cicconi, R. Belli, M. Brehl, J. Lubauer, U. Lohbauer, H. Tajiri, K. Ikeda, T. Hayakawa, D. de Ligny, S. Kohara, H. Hayashi,
    Journal of Non-Crystalline Solids, 616, 122472, (2023). (doi:https://doi.org/10.1016/j.jnoncrysol.2023.122472)
  43. Pressure Dependence of Superconductivity in Alkaline Earth Metal-Doped FeSe: toward Completion of the Phase Diagram of Superconducting Transition Temperature Versus FeSe Layer Distance,
    M. Ikeda, H. Li, Z. Zhang, Y. Yamamoto, H. Goto, R. Eguchi, H. Ishii, Y,-F. Liao, Y. Takabayashi, K. Hayashi, Y. Kubozono,
    Chem. Mater., 35, 4338-4346, (2023). (doi:https://doi.org/10.1021/acs.chemmater.3c00391)
  44. An Algorithm to Correct the Sensitivity Distribution of a Retarding Field Analyzer for Photoelectron Holography,
    Tomohiro Matsushita, Yusuke Hashimoto, Hiroto Tomita, Zexu Sun, Sota Kawamura, Mami N. Fujii, Jun Mizuno,
    J. Phys. Soc. Jpn, 21, 027-1-027-5, (2023). (doi:doi:10.1380/ejssnt.2023-027)
  45. Effects of Oxygen on Lattice Defects in Single-Crystalline Mg2Si Thermoelectrics,
    Kei Hayashi, Sota Kawamura, Yusuke Hashimoto, Noboru Akao, Zhicheng Huang, Wataru Saito, Kaichi Tasaki, Koichi Hayashi, Tomohiro Matsushita, Yuzuru Miyazaki,
    Nanomaterials, 13, 1222, (2023). (doi:doi:10.3390/nano13071222)
  46. Polymorphs of Titanium Dioxide: An Assessment of the Variants of Projector Augmented Wave Potential of Titanium on Their Geometric and Dielectric Properties,
    Pradeep R. Varadwaj, Van An Dinh, Yoshitada Morikawa and Ryoji Asahi,
    ACS Omega, 8, 22003-22017, (2023). (doi:10.1021/acsomega.3c02038)
  47. Electronic and optical properties of the hydrogen boride sheet from the many-body perturbation theory,
    Luong Thi Ta, Yoshitada Morikawa, and Ikutaro Hamada,
    J. Phys. Condens. Matter, 35, 435002, (2023). (doi:10.1088/1361-648X/ace8e3)
  48. Determination of hyper-parameters in the atomic descriptors for efficient and robust molecular dynamics simulations with machine learning forces,
    J. Lin, R. Tamura, Y. Futamura, T. Sakurai, T. Miyazaki,
    Phys. Chem. Chem. Phys., 25, 17978-17986, (2023). (doi:10.1039/D3CP01922E)
  49. Machine learning molecular dynamics simulation of CO-driven formation of Cu clusters on the Cu(111) surface,
    Harry Handoko Halim and Yoshitada Morikawa,,
    J. Phys. Condens. Matter, nan, (in press)
  50. Approximation by interval-decomposables and interval resolutions of persistence modules,
    Hideto Asashiba, Emerson G. Escolar, Ken Nakashima, Michio Yoshiwaki,
    Journal of Pure and Applied Algebra, 227(10), 107397, (2023). (doi:10.1016/j.jpaa.2023.107397)
  51. On Approximation of 2D Persistence Modules by Interval-decomposables,
    Hideto Asashiba, Emerson G. Escolar, Ken Nakashima, Michio Yoshiwaki,
    Journal of Computational Algebra, (2023). (doi:10.1016/j.jaca.2023.100007)
  1. Large-scale DFT calculations of materials with complex structures,
    中田彩子,
    WE-Heraeus-Seminar: Beyond Imperfections: New Structure-Property Relationships in Ceramics and Glasses, Bad Honnef, 2023.5.23.
  2. Atomic-Holography Microscope for Nano Analysis Realized by New Display Analyzer CoDELMA,
    Hiroshi Daimon, Hiroki Momono, Hiroyuki Matsuda, Lászlo Toth, Yu Masuda, Koichi Moriguchi, Keiko Ogai, Yusuke Hashimoto and Tomohiro Matsushita,
    ECSCD-15 / ICSOS-13 (15th European Conference on Surface Crystallography and Dynamics and 13th International Conference on the Structure of Surfaces), Grainau, Germany, 2023.5.23.
  3. The Electrostatic Levitation Furnace Onboard the International Space Station for Container-Less Material Processing and Thermophysical Property Measurements at Extremely High Temperature,
    石川毅彦,
    The Electrochemical Society 243rd Meeting, Boston, 2023.5.29.
  4. Molecularly Controlled Support Effect on Catalytic Activity of Metal Subnanoclusters,
    中嶋　敦,
    Cluster Meeting 2023, Prague, 2023.6.21.
  5. Large-scale DFT calculations for materials with complex structures,
    Ayako Nakata,
    The 6th China-Japan-Korea Workshop on Theoretical and Computational Chemistry, Suwon, 2023.6.21.
  6. Local structures of Tm ions in Ca2Al2SiO7:Eu,Tm long persistent phosphorescence phosphor studied by X-ray fluorescence holography and positron annihilation lifetime spectroscopy,
    北浦　守,
    9th international symposium on optical materials, Spain, 2023.6.28.
  1. Extracting order within disorder in disordered materials by high-energy X-ray diffraction,
    S. Kohara,SPring-8/SACLA Research Frontier 2022,12-15 (2023)
  2. Novel function of pigeon iron–sulfur protein for the magnetoreception predicted by SAXS analysis with a permanent magnetic device,
    S. Arai, R. Shimizu, M. Adachi, M. Hirai, Photon Factory Activity Report 2022, 40 (2023) （高エネルギー加速器研究機構）
  3. Review of Current Software for Analyzing Total X-ray Scattering Data from Liquids,
    L. C. Gallington, S. K. Wilke, S. Kohara, C. J. Benmore, Quantum Beam Sci., 7(2), 20 (2023)
  4. Self-Oligomerization of Pigeon Iron-Sulfur Protein Induced by Magnetic Field,
    S. Arai, R. Shimizu, M. Adachi, M. Hirai, Photon Factory Highlights 2022 (2023)（高エネルギー加速器研究機構）
  5. Roadmap on electronic structure codes in the exascale era,
    V. Gavini, S. Baroni, V. Blum, D. R. Bowler, A. Buccheri, J. R. Chelikowsky, S. Das, W. Dawson, P. Delugas, M. Dogan, C. Draxl, G. Galli, L. Genovese, P. Giannozzi, M. Giantomassi, X. Gonze, M. Govoni, F. Gygi, A. Gulans, J. M. Herbert, S. Kokott, T. D. Kühne, K.-H. Liou, T. Miyazaki, P. Motamarri, A. Nakata, J. E. Pask, C. Plessl, L. E. Ratcliff, R. M. Richard, M. Rossi, R. Schade, M. Scheffler, O. Schütt, P. Suryanarayana, M. Torrent, L. Truflandier, T. L. Windus, Q. Xu, V. W.-Z. Yu, D. Perez, IOP Publishing.