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研究成果

領域内における発表論文数(2015/6/15現在)

総論文数 2015年 2014年 2013年
419
(うち Nature family:16, Science:2)
82 236 101

以下に主に2014年に発表された論文111件を抜粋.

研究項目A01 ナノ材料科学のフロンティア開拓

A01(ア)計画研究 ナノ構造解析のフロンティア開拓

  1. *K. Matsunaga, Y. Tanaka, K. Toyoura, A. Nakamura, Y. Ikuhara, and N. Shibata, "Existence of basal oxygen vacancies on the rutile TiO2 (110) surface," Phys. Rev. B, 90 [19] 195303-1-6 (2014).
  2. K. Imaizumi, *K. Toyoura, A. Nakamura, and K. Matsunaga, "Stable sites and diffusion pathways of interstitial oxide ions in lanthanum germanate," Solid State Ionics, 262 512-516 (2014).
  3. T. Kubota, A. Nakamura, K. Toyoura, and *K. Matsunaga, "The effect of chemical potential on the thermodynamic stability of carbonate ions in hydroxyapatite," Acta Biomater., 10 [8] 3716-3722 (2014).
  4. *T. Ogawa, A. Kuwabara, C. A. J. Fisher, H. Moriwake, K. Matsunaga, K. Tsuruta, and S. Kitaoka, "A density functional study of vacancy formation in grain boundaries of undoped a-alumina," Acta Mater., 69, 365-371 (2014).
  5. K. Kato, *K. Toyoura, A. Nakamura, and K. Matsunaga, "Proton channels along oxygen octahedral chains in La3NbO7," J. Phys. Chem. C, 118 [18] 9377-9384 (2014).
  6. D. Fernández-Torre, *A. Yurtsever, J. Onoda, M. Abe, S. Morita, Y. Sugimoto, and R. Pérez, "Pt atoms adsorbed on TiO2(110)-(1×1) studied with non-contact atomic force microscopy and first-principles simulations," Phys. Rev. B, 91 [7] 075401-1-8 (2015).
  7. *E. Inami, I. Hamada, K. Ueda, M. Abe, S. Morita, and Y. Sugimoto, "Room-temperature concerted switch of a binary atom cluster," Nature Commun., 6 1-7 (2015).
  8. S. Kitora, M. Abe, and *H. Toki, "Electromagnetic Noise in Electric Circuits: Ringing and Resonance Phenomena in the Common Mode," AIP advances, 4 [11] 117119-1-6 (2014).
  9. S. Kuhn, M. Kittelmann, Y. Sugimoto, M. Abe, A. Kühnle, and *P. Rahe, "Identifying the absolute orientation of a low-symmetry surface in real space," Phys. Rev. B, 90 [19] 195405-1-12 (2014).
  10. *Y. Sugimoto, A. Yurtsever, N. Hirayama, M. Abe, and S. Morita, "Mechanical gate control for atom-by-atom cluster assembly with scanning probe microscopy," Nature Commun., 5 1-7 (2014).
  11. *K. Shitara, H. Murata, K. Watanabe, C. Kojima, Y. Sumida, A. Nakamura, A. Nakahira, I. Tanaka, and K. Matsunaga, "Cytotoxicity of stoichiometric hydroxyapatites with different crystallite sizes," J. Asian Ceram. Soc., 2 [1] 64-67 (2014).
  12. T. Y. Chang, Y. Tanaka, R. Ishikawa, K. Toyoura, K. Matsunaga, Y. Ikuhara, and *N. Shibata, "Direct imaging of Pt single atoms adsorbed on TiO2 (110) surfaces," Nano Lett., 14 [1] 134-138 (2014).

A01(イ)計画研究 ナノ機能元素解析のフロンティア開拓

  1. K. Inoue, M. Saito, Z. Wang, M. Kotani and Y. Ikuhara, "On the periodicity of <001> symmetrical tilt grain boundaries", Mater. Trans., 56, 281-287(2015).
  2. *H. Chang, M. Saito, T. Nagai, Y. Liang, Y. Kawazoe, Z. Wang, H. Wu, K. Kimoto, and Y. Ikuhara, “Single adatom dynamics at monatomic steps of free-standing few-layer reduced graphene,” Scientific Reports, 4, 6037(2014).
  3. T.-Y. Chang, Y. Tanaka, R. Ishikawa, K. Toyoura, K. Matsunaga, Y. Ikuhara, and *N. Shibata, “Direct Imaging of Pt Single Atoms Adsorbed on TiO2 (110) Surfaces,” Nano Letters, 14[1], 134-138(2014).
  4. *R. Ishikawa, A. R. Lupini, F. Oba, S. D. Findlay, N. Shibata, T. Taniguchi, K. Watanabe, H. Hayashi, T. Sakai, I. Tanaka, Y. Ikuhara, and S. J. Pennycook, “Atomic Structure of Luminescent Centers in High-Efficiency Ce-doped w-AlN Single Crystal,” Scientific Reports, 4, 3778(2014).
  5. K. Matsui, H. Yoshida, and *Y. Ikuhara, “Nanocrystalline, Ultra-Degradation-Resistant Zirconia: Its Grain Boundary Nanostructure and Nanochemistry,” Scientific Reports, 4, 4758(2014).
  6. M. Matsukawa, R. Ishikawa, T. Hisatomi, Y. Moriya, N. Shibata, J. Kubota, *Y. Ikuhara, and K. Domen, “Enhancing Photocatalytic Activity of LaTiO2N by Removal of Surface Reconstruction Layer,” Nano Letters, 14[2], 1038-1041(2014).
  7. *K. Matsunaga, Y. Tanaka, K. Toyoura, A. Nakamura, Y. Ikuhara, and N. Shibata, “Existence of basal oxygen vacancies on the rutile TiO2 (110) surface,” Physical Review B, 90[19], 195303(2014).
  8. A. Nakamura, S. Furutsuki, S.-i. Nishimura, T. Tohei, Y. Sato, N. Shibata, A. Yamada, and *Y. Ikuhara, “Phase Boundary Structure of LixFePO4 Cathode Material Revealed by Atomic-Resolution Scanning Transmission Electron Microscopy,” Chemistry of Materials, 26[21], 6178-6184(2014).
  9. D. Oka, Y. Hirose, H. Kamisaka, T. Fukumura, K. Sasa, S. Ishii, H. Matsuzaki, Y. Sato, *Y. Ikuhara, and T. Hasegawa, “Possible ferroelectricity in perovskite oxynitride SrTaO2N epitaxial thin films,” Scientific Reports, 4, 4987(2014).
  10. S.-i. Okuoka, Y. Ogasawara, Y. Suga, M. Hibino, T. Kudo, H. Ono, K. Yonehara, Y. Sumida, Y. Yamada, A. Yamada, M. Oshima, E. Tochigi, N. Shibata, Y. Ikuhara, and *N. Mizuno, “A New Sealed Lithium-Peroxide Battery with a Co-Doped Li2O Cathode in a Superconcentrated Lithium Bis(fluorosulfonyl)amide Electrolyte,” Scientific Reports, 4, 5684(2014).
  11. I. Sugiyama, Y. Kim, S. Jesse, E. Strelcov, A. Kumar, A. Tselev, E. K. Rahani, V. B. Shenoy, T. Yamamoto, *N. Shibata, Y. Ikuhara, and *S. V. Kalinin, “Spatially-resolved mapping of history-dependent coupled electrochemical and electronical behaviors of electroresistive NiO,”Scientific Reports, 4, 6725(2014).
  12. K. Takehara, Y. Sato, T. Tohei, N. Shibata, and *Y. Ikuhara, “Titanium enrichment and strontium depletion near edge dislocation in strontium titanate 001 /(110) low-angle tilt grain boundary,” Journal of Materials Science, 49[11], 3962-3969(2014).
  13. *Z. Wang, M. Saito, C. Chen, Y. Matsubara, K. Ueno, M. Kawasaki, and Y. Ikuhara, “Full Determination of Individual Reconstructed Atomic Columns in Intermixed Heterojunctions,” Nano Letters, 14[11], 6584-6589(2014).
  14. *Z. Wang, M. Saito, K. P. McKenna, and Y. Ikuhara, “Polymorphism of dislocation core structures at the atomic scale,” Nature Communications, 5, 3239(2014).

A01(ウ)計画研究 ナノ電子状態解析のフロンティア開拓

  1. I. Sugiyama, Y. Kim, S. Jesse, E. Strelcov, A. Kumar, A. Tselev, E. K. Rahani, V. B. Shenoy, T. Yamamoto, *N. Shibata, Y. Ikuhara, and *S. V. Kalinin, “Spatially-resolved mapping of history-dependent coupled electrochemical and electronical behaviors of electroresistive NiO,”Scientific Reports, 4, 6725(2014).
  2. *H. Yoshida, Y. Sakka, T. Yamamoto, J. M. Lebrun, R. Raj, “Densification behavior and microstructural development in undoped yttria prepared by flash-sintering”, J. Eur. Ceram. Soc., 34, 991-1000 (2014)
  3. Y. Kotaka, *T. Yamazaki, M. Ohtsuka, K. Watanabe, “Image formation mechanisms of spherical aberration corrected BF STEM imaging methods”, Ultramicroscopy, 136, 119-126, (2014)
  4. *K. Niwa, H. Ikegaya, T. Taguchi, S. Muto, T. Tokunaga, M. Hasegawa, “Growth of rectangular hollow tube crystals with rutile-type structure in supercritical fluids”, Journal of Physics: Conference Series, 500, 022007-1-4 (2014)
  5. *T. Yoshida, E. Kuda, S. Muto, “Depth distribution of dopant effective for visible-light response in nitrogen-doped TiO2 photocatalyst”, Surface and Interface Analysis, 46, 1236-1239, (2014)
  6. *K. Niwa, K. Suzuki, S. Muto, K. Tatsumi, K. Soda, T. Kikegawa, M. Hasegawa, “Discovery of the last remaining binary platinum-group pernitride RuN2”, Chemistry – A European Journal, 20, 1-5, (2014)
  7. *S. Muto,J. Rusz, K. Tatsumi, R. Adam, S. Arai, V. Kocevski, P. M. Oppeneer, D. E. Burgler, C. M. Schneider, “Qualitative characterization of magnetic materials based on electron magnetic circular dichroism with nanometric resolution using the JEM-1000K RS ultra-high voltage STEM”, JEOL News, 49, 21-28 (2014)
  8. *K. Tatsumi, S. Muto, J. Rusz, T. Kudo, S. Arai, “Signal enhancement of electron magnetic circular dichroism by ultra-high-voltage TEM, toward quantitative nano-magnetism measurements”, Microscopy, 63, 243-247, (2014)
  9. *S. Muto, J. Rusz, K. Tatsumi, R. Adam, S. Arai, V. Kocevski, P. M. Oppeneer, D. E .Burgler and C. M. Schneider, “Quantitative characterization of nanoscale polycrystalline magnets with electron magnetic circular dichroism”, Nature Communications, 5, 3138 -1-7, (2014)

A01公募研究(一杉) 酸化物表面における特異なナノ構造の超高分解能STM測定

  1. Ikutaro Hamada, Ryota Shimizu, Takeo Ohsawa, Katsuya Iwaya, Tomihiro Hashizume, Masaru Tsukada, Kazuto Akagi, and *Taro Hitosugi, “Imaging the evolution of d-states at a strontium titanate surface”, J. Am. Chem. Soc. 136, 17201–17206 (2014).
  2. *Taro Hitosugi, Ryota Shimizu, Takeo Ohsawa, and Katsuya Iwaya, “Scanning tunneling microscopy/spectroscopy on perovskite oxide thin films deposited in situ”, The Chemical Records 14, 935–943 (2014).

A01公募研究(高橋) スペクトロスコピックX線回折イメージングによるナノスケールX線吸収分光

  1. R. Xu, H. Jiang, C. Song, J. A. Rodriguez, Z. Huang, C.-C. Chen, D. Nam, J. Park, M. Gallagher-Jones, S. Kim, S. Kim, A. Suzuki, Y. Takayama, T. Oroguchi, Y. Takahashi, J. Fan, Y. Zou, T. Hatsui, Y. Inubushi, T. Kameshima, K. Yonekura, K. Tono, T. Togashi, T. Sato, M. Yamamoto, M. Nakasako, M. Yabashi, T. Ishikawa, *J. Miao, "Single-shot 3D structure determination of nanocrystals with femtosecond X-ray free-electron laser pulses," Nat. Commun., 5 14061 (2014).

A01公募研究(王) 転位配列制御による局在量子構造の材料設計と大容量化

  1. K. P. McKenna, F. Hofer, D. Gilks, V. K. Lazarov, C. L. Chen, *Z. C. Wang, and Y. Ikuhara, “Atomic Scale Structure and Properties of Highly Stable Antiphase Boundary Defects in Fe3O4”, Nature Communications 5, 5740−1−8 (2014)
  2. *Z. C. Wang, M. Saito, K. P. McKenna, and Y. Ikuhara, “Polymorphism of Dislocation Core Structures at the Atomic Scale”, Nature Communications 5, 3239−1−7 (2014)

研究項目A02 ナノ構造情報シンセシスによる機能設計・探索

A02(エ)計画研究 ナノ構造情報に基づいた機能探索

  1. *A. Seko, T. Maekawa, K. Tsuda and I. Tanaka, “Machine learning with systematic density-functional theory calculations: Application to melting temperatures of single- and binary-component solids,” Physical Review B, 89[5] 054303 (2014)
  2. *A. Seko, A. Takahashi and I. Tanaka, “Sparse representation for a potential energy surface," Physical Review B, 90[2] 024101 (2014)
  3. *M. Nishijima, T. Ootani, Y. Kamimura, T. Sueki, S. Esaki, S. Murai, K. Fujita, K. Tanaka, K. Ohira, Y. Koyama and I. Tanaka, “Accelerated discovery of cathode materials with prolonged cycle life for lithium-ion battery," Nature Communications, 5, 4553 (2014)
  4. *Y. Ikeda, A. Seko, A. Togo and I. Tanaka, “Phonon softening in paramagnetic bcc Fe and its relationship to the pressure-induced phase transition," Physical Review B, 90[13] 134106 (2014)
  5. *A. Seko, K. Shitara and I. Tanaka, “Efficient determination of alloy ground-state structures,” Physical Review B, 90[17] 174104 (2014)
  6. *H. Akamatsu, K. Fujita, T. Kuge, A. Sen Gupta, A. Togo, SM. Lei, F. Xue, G. Stone, JM. Rondinelli, LQ. Chen, I. Tanaka, V. Gopalan and K. Tanaka, “Inversion Symmetry Breaking by Oxygen Octahedral Rotations in the Ruddlesden-Popper NaRTiO4 Family,” Physical Review Letter, 112[18] 187602 (2014)
  7. *K. Moridomi, K. Hatano, E. Takimoto and K. Tsuda. Online matrix prediction for sparse loss matrices. 6th Asian Conference on Machine Learning, pp. 250-265, 2014.
  8. *N. Ueshima, M. Yoshiya, H. Yasuda, T. Fukuda, T. Kakeshita, "Impact of interplay between magnetic field, transformation strain, and coarsening on variant selection in L10-type FePd", J. Appl. Phys., Vol. 115, 073501-1-10 (2014).
  9. A. Grüneis, *G. Kresse, Y. Hinuma, and *F. Oba, “Ionization potentials of solids: The importance of vertex corrections”, Phys. Rev. Lett., 112 [9], 096401 (2014).
  10. *Y. Kumagai and F. Oba, “Electrostatics-based finite-size corrections for first-principles point defect calculations”, Phys. Rev. B, 89 [19], 195205 (2014). [Editors’ Suggestion]

A02(オ)計画研究 高圧・高温プロセスを利用した新しい構造―機能相関の探求

  1. *R. Ishikawa, A. R. Lupini, S. D. Findlay, T. Taniguchi, and S. J. Pennycook, “Three-dimensional location of a single dopant with atomic precision by aberration-corrected scanning transmission electron microscopy”  Nano Letters, 14 1903 (2014).
  2. *R. Ishikawa, A. R. Lupini, F. Oba, S. D. Findlay, N. Shibata, T. Taniguchi, K. Watanabe, H. Hayashi, T. Sakai, I Tanaka, Y. Ikuhara, S. J. Pennycook, “Atomic structure of luminescent centers in high-efficiency Ce-doped w-AlN single crystal” Scientific Report 4, 3778 (2014).
  3. *R. Ishikawa R.Mishra A.R. Lupini, S.D.Findlay,T. Taniguchi,S.T.Pantelides,S.J. Pennycook, “Direct Observation of Dopant Atom Diffusion in a Bulk Semiconductor Crystal Enhanced by a Large Size Mismatch” Phys .Rev.Lett., 113, (2014).
  4. *J. D. Caldwell, A. V. Kretinin, Y. Chen, V. Giannini, M. M. Fogler, Y. Francescato, C. T. Ellis, J. G. Tischler, C. R. Woods, A. J. Giles, M. Hong, K. Watanabe, T. Taniguchi, S. A. Maier, and K. S. Novoselov, “Sub-Diffractional Volume-Confined Polaritons in the Natural Hyperbolic Material Hexagonal Boron Nitride” Nature Communications, 5, 5221, (2014).
  5. S. Dai, Z. Fei, Q. Ma, A. S. Rodin, M. Wagner, A. S. Mcleod, M. K. Liu, W. Gannett, W. Regan, K. Watanabe, T. Taniguchi, M. Thiemens, G. Dominguez, A. H. C. Neto, A. Zettl, F. Keilmann, *P. Jarillo-Herrero, M. M. Fogler, and D. N. Basov “Tunable Phonon Polaritons in Atomically Thin Van Der Waals Crystals of Boron Nitride” Science, 343, 1125, (2014).
  6. A. R. Woods, L. Britnell, A. Eckmann, R.-S. Ma, J.-C. Lu, H.-M. Guo, X. Lin, G.-L. Yu, Y. Cao, R. V. Gorbachev, A. V. Kretinin, J. Park, L. A. Ponomarenko, M. I. Katsnelson, Y. N. Gornostyrev, K. Watanabe, T. Taniguchi, C. Casiraghi, H.-J. Gao, A. K. Geim, and *K. S. Novoselov, “Commensurate-Incommensurate Transition in Graphene on Hexagonal Boron Nitride” Nature Physics, 10, 451, (2014).
  7. J.S.Ross, P.Klement, A.M.Jones, N.J.Ghimire, J.Yan, D.G. Mandrus, T.Taniguchi, K.Watanabe, K.Kitamura, W.Yao, D.H.Cobden, *X.Xu, “Electrically Tunable Excitonic Light Emitting Diodes based on Monolayer WSe2 p-n Junctions”, Nature Nanotechnology, 9, 268 (2014).
  8. *H.Yusa, F.Kawamura, T.Taniguhci, N.Hirao, Y.Ohishi, T.Kikegawa , “High-pressure syntheses and compressive behavior of tantalum nitrides”, J.Appl.Phys., 115, 103520 (2014).

A02(カ)計画研究 原子層制御による新しい材料機能探索

  1. *S. Haindl, M. Kidszun, S. Oswald, C. Hess, B. Büchner, S. Kölling, L. Wilde, T. Thersleff, V. V. Yurchenko, M. Jourdan, H. Hiramatsu, and H. Hosono, “Thin film growth of Fe-based superconductors: from fundamental properties to functional devices. A comparative review” Rep. Prog. Phys. 77 [4], 046502 (2014). (2014.4.2)
  2. H. Yamaguchi, H. Hiramatsu, H. Hosono, and *T. Mizoguchi, “The atomic structure, band gap, and electrostatic potential at the (112)[11(_)0] twin grain boundary of CuInSe2” Appl. Phys. Lett. 104 [15], 153904 (2014). (2014.4.17)
  3. *H. Hiramatsu, H. Sato, T. Katase, T. Kamiya, and H. Hosono, “Critical factor for epitaxial growth of cobalt-doped BaFe2As2 films by pulsed laser deposition” Appl. Phys. Lett. 104 [17], 172602 (2014). (2014.5.1)
  4. *W. S. Choi, H. Ohta, and *H. N. Lee, “Thermopower Enhancement by Fractional Layer Control in 2D Oxide Superlattices”, Adv. Mater. 26 [39], 6701−6705 (2014). (2014.7.25)
  5. Z. Xiao, H. Hiramatsu, S. Ueda, Y. Toda, F.-Y. Ran, J. Guo, H. Lei, S. Matsuishi, H. Hosono, and *T. Kamiya, “Narrow Bandgap in β-BaZn2As2 and Its Chemical Origins” J. Am. Chem. Soc. 136 [42], 14959 – 14965 (2014). (2014.9.25)
  6. T. Katase, K. Endo, and *H. Ohta, “Thermopower analysis of the electronic structure around metal-insulator transition in V1-xWxO2,” Phys. Rev. B 90, 161105(R) (2014). (2014.10.21)
  7. Y. Wang, H. Sato, Y. Toda, S. Ueda, *H. Hiramatsu, and H. Hosono, “SnAs with the NaCl-type Structure: Type-I Superconductivity and Single Valence State of Sn” Chem. Mater. 26 [24], 7209 – 7213 (2014). (2014.12.8)
  8. *W. S. Choi, H. K. Yoo, and H. Ohta, “Polaron transport and thermoelectric behavior in La-doped SrTiO3 thin films with elemental vacancies,” Adv. Funct. Mater. 25 [5], 799−804 (2015). (2014.12.22)
  9. T. Katase, H. Hiramatsu, T. Kamiya, and *H. Hosono, “Electric double-layer transistor using layered iron selenide Mott insulator TlFe1.6Se2” Proc. Natl. Acad. Sci. USA 111 [11], 3979 – 3983 (2014). (2014.2.7)
  10. F.-Y. Ran, Z. Xiao, H. Hiramatsu, H. Hosono, and *T. Kamiya, “Growth of high-quality SnS epitaxial films by H2S flow pulsed laser deposition” Appl. Phys. Lett. 104 [7], 072106 (2014). (2014.2.20)

A02公募研究(永田) ナノ構造情報解明のためのデータ駆動型アルゴリズム開発

  1. H. Takenaka, K. Nagata, T. Mizokawa and M. Okada, “Model selection of NiGa2S4 triangular lattice by Bayesian inference”, J. Phys. Soc. Jpn. 83, 124706 (2014).

A02公募研究(鹿島) 機械学習に基づく材料探索技術の開発

  1. 岩瀬智亮,世古敦人,*鹿島久嗣,“マルチタスク学習を用いた複数物性値の同時予測”, 信学技報 113, 9-13 (2014).[査読なし]
  2. *R. Tomioka, T. Suzuki, K. Hayashi, and H. Kashima, “Low-rank tensor denoising and recovery via convex optimization,” In J. Suykens, M. Signoretto, & A. Argyriou (editors), Regularization, Optimization, Kernels, and Support Vector Machines, 313-336, Chapman and Hall/CRC (2014).

A02公募研究(本多) 効率的な材料探索のための実験計画法の開発

  1. *J. Honda and A. Takemura, "Optimality of Thompson Sampling for Gaussian Bandits Depends on Priors," AISTATS2014, JMLR Workshop and Conference Proceedings 33, 375-383 (2014).

A02公募研究(志賀) 材料設計における効率的スクリーニングのための機械学習法

  1. *M. Shiga, V. Tangkaratt, M. Sugiyama, “Direct Conditional Probability Density Estimation with Sparse Feature Selection”, Machine Learning, 2015.(採択、オンライン版DOI 10.1007/s10994-014-5472-x)
  2. *M. Shiga, H. Mamitsuka, “Non-negative Matrix Factorization with Auxiliary Information on Overlapping Groups”, IEEE Transactions on Knowledge and Data Engineering, 27[6], 1615-1628, 2015.

A02公募研究(竹内) 統計的機械学習と第一原理計算に基づくプロトン伝導体の効率的探索

  1. H. Sasaki, I. Takeuchi, M. Okada, R. Sawada, K. Kanie, Y. Kiyota, H. Honda, *R. Kato. "Label-Free Morphology-Based Prediction of Multiple Differentiation Potentials of Human Mesenchymal Stem Cells for Early Evaluation of Intact Cells," PLoS ONE, 9 e93952 (2014).
  2. Y. Guo, I. Takeuchi, S. Karnan, T. Miyata, K. Ohshima, *M. Seto "Array CGH profiling of immunohistochemical subgroups of diffuse large B-cell lymphoma shows distinct genomic alterations," Cancer Science, 105 481-489 (2014).
  3. F. Matsuoka, I. Takeuchi, H. Agata, H. Kagami, H. Shiono, Y. Kiyota, H. Honda, *R. Kato. "Characterization of time-course morphological features for efficient prediction of osteogenic potential in human mesenchymal stem cells," Biotechnology and Bioengineering, 111 1430- 1439 (2014).

A02公募研究(池野) インフォマティクスに基づく固体光学結晶材料の設計

  1. 池野豪一,*溝口 照康,「第一原理計算の基礎とEELS計算への応用」,顕微鏡51号,in print (2015). [査読なし]
  2. *Hidekazu Ikeno, “Ab-initio Multiplet Calculations of Fe-L2,3X-ray Absorption Spectra in LiFePO4 and FePO4”, Mater. Trans. accepted (4 pages) (2015).

研究項目A03 ナノ構造デザインに基づく新しい材料創製

A03(キ)計画研究 耐環境性セラミックス材料のナノ構造制御と材料創製

  1. *T. Ogawa, A. Kuwabara, C.A.J. Fisher, H. Moriwake, K. Matsunaga, K. Tsuruta, S. Kitaoka, "A density functional study of vacancy formation in grain boundaries of undoped a-alumina," Acta Mater., 69, 365–371 (2014).
  2. *S. Kitaoka, T. Matsudaira, M. Wada, T. Saito, M. Tanaka, Y. Kagawa, "Control of oxygen permeability in alumina under oxygen potential gradients at high temperature by dopant configurations," J. Am. Ceram. Soc., 97 [7], 2314–2322 (2014).
  3. *T. Ogawa, A. Kuwabara, C.A.J. Fisher, H. Moriwake, "A Density Functional Study of Oxygen Adatoms on a Step-Doubled Platinum Surface," J. Phys. Chem. C, 118, 23675–23681 (2014).
  4. *H. Moriwake, A. Konishi, T. Ogawa, K. Fujimura, C. A. J. Fisher, A. Kuwabara, T. Shimizu, S. Yasui, M. Itoh, "Ferroelectricity in Wurtzite structure simple chalcogenide," Appl. Phys. Lett., 104, 242909 (2014).
  5. T. Hashimoto, *H. Moriwake, "Dielectric properties of BaTiO3 by molecular dynamics simulations using a shell model," Molecular Simulation, 39, 1-7 (2014).
  6. *H. Maeshima, H. Moriwake, A. Kuwabara, C.A.J. Fisher, I. Tanaka, "An improved method for quantitatively predicting the electrochemival stability of organic liquid electrolytes using Ab initio calculations," J. Electrochem. Soc., 161 [3], G7-G14 (2014).
  7. *T. Matsudaira, M. Wada, M. Tanaka, Y. Kagawa, S. Kitaoka, "Effect of Dopant Configurations on Oxygen Shielding Properties of Polycrystal Alumina," Mater. Sci. Forum, 783-786, 1452-1457 (2014).

A02(ク)計画研究 ナノ構造情報に基づいた新しい固体イオニクス材料の創出

  1. T. Phraewphiphat, I. Muhammad, K. Suzuki, Y. Matsuda, M. Yonemura, M. Hirayama, and *R. Kanno "Syntheses, structures, and ionic conductivities of perovskite-structured lithium–strontium–aluminum/gallium–tantalum-oxides," J. Solid State Chem., 225, 431-437 (2014).
  2. S. Taminato, M. Hirayama, K. Suzuki, K. Kim, Y. Zheng, K. Tamura, J. Mizuki, and *R. Kanno "Mechanistic studies on lithium intercalation in a lithium-rich layered material using Li2RuO3 epitaxial film electrodes and in situ surface X-ray analysis," J. Mater. Chem. A, 2 [42], 17875-17882 (2014).
  3. J. Lim, S. Lee, K. Suzuki, K. Kim, S. Kim, M. Hirayama, Y. Oshima, K. Takayanagi, and *R. Kanno "Synthesis, structure and electrochemical properties of novel Li–Co–Mn–O epitaxial thin-film electrode using layer-by-layer deposition process, " J. Power Sources, 279, 502-509 (2014).
  4. S. Kim, M. Hirayama, W. Cho, K. Kim, T. Kobayashi, R. Kaneko, K. Suzuki and *R. Kanno " Low temperature synthesis and ionic conductivity of the epitaxial Li0.17La0.61TiO3 film electrolyte", CrystEngComm, 16 [6], 1044-1049 (2014).
  5. H. Chang, K. Kubota, G. Kobayashi, M. Hirayama and *R. Kanno "High-pressure synthesis and electrochemical properties of lithium transition metal oxides with layered rock-salt structure", J. Power Sources, 252, 1-7 (2014).
  6. H. Konishi, K. Suzuki, S. Taminato, K. Kim, Y. Zheng, S. Kim, J. Lim, M. Hirayama, J.-Y. Son, Y. Cui, and *R. Kanno "Effect of surface Li3PO4 coating on LiNi0.5Mn1.5O4 epitaxial thin film electrodes synthesized by pulsed laser deposition", J. Power Sources, 269, 293-298 (2014). 

A03(ケ)計画研究 規整ナノ反応場の構築と新しい触媒機能の創出

  1. *S. Takakusagi, T. Ogawa, H. Uehara, H. Ariga, K. Shimizu, and K. Asakura, "Electrodeposition Study on a TiO2 Single Crystal Electrode: Pt on a Nb-doped TiO2(110) ", Chem. Lett., 43 [11], 1797-1799 (2014).
  2. T. Kaito, H. Mitsumoto, S. Sugawara, K. Shinohara, H. Uehara, H. Ariga, S. Takakusagi, and *K. Asakura, "A new spectroelectrochemical cell for in situ measurement of Pt and Au K-edge X-ray absorption fine structure", Rev. Sci. Instrum., 85 [8], 084104 (2014).
  3. K. Fujikawa, H. Ariga, S. Takakusagi, H. Uehara, T. Ohba, and *K. Asakura, "Micro Reverse Monte Carlo Approach to EXAFS Analysis", e-J. Surf. Sci. Nanotech. 12, 322-329 (2014).
  4. A. Chaudhari, S. M. A. H. Siddiki, M. Tamura, and *K. Shimizu, "Acceptorless Dehydrogenative Synthesis of 2-Substituted Quinazolines from 2-Aminobenzylamine with Primary Alcohols or Aldehydes by Heterogeneous Pt Catalysts", RSC Adv., 4, 53374–53379 (2014).
  5. M. A. Ali, S. M. A. H. Siddiki, K. Kon, J. Hasegawa, and *K. Shimizu, "Versatile and Sustainable Synthesis of Cyclic Imides from Dicarboxylic Acids and Amines by Nb2O5 as a Base-Tolerant Heterogeneous Lewis Acid Catalyst", Chem. Eur. J., 20 [44], 14256–14260 (2014).
  6. K. Kon, W. Onodera, S. Takakusagi, and *K. Shimizu, "Hydrodeoxygenation of Fatty Acids and Triglyceride by Pt-loaded Nb2O5 Catalysts", Catal. Sci. Technol., 4, 3705–3712 (2014).
  7. S. K. Moromi, S. M. A. H. Siddiki, M. A. Ali, K. Kon, and *K. Shimizu, "Acceptorless dehydrogenative coupling of primary alcohols to esters by heterogeneous Pt catalysts", Catal. Sci. Technol., 4, 3631–3635 (2014).
  8. *K. Shimizu, S. Kanno, and K. Kon, "Hydrogenation of Levulinic Acid to γ–Valerolactone by Ni and MoOx Co-loaded Carbon Catalysts", Green Chem., 16, 3899–3903 (2014)
  9. K. Kon, S. M. A. H. Siddiki, W. Onodera, and *K. Shimizu, "Sustainable Heterogeneous Platinum Catalyst for Direct Methylation of Secondary Amines by Carbon Dioxide and Hydrogen", Chem. Eur. J., 20 [21], 6264–6267 (2014)

A03公募研究(東) 圧力誘起体積収縮を用いた巨大負熱膨張物質の開発

  1. *H. Hojo, K. Onuma, Y. Ikuhara, and M. Azuma, "Structural evolution and enhanced piezoresponse in cobalt-substituted BiFeO3 thin films," Applied Physics Express 7[9] 091501-1-4 (2014).
  2. *R. Yu, H. Hojo, K. Oka, T. Watanuki,A. Machida,K. Shimizu, K. Nakano, and M. Azuma, "New PbTiO3Type Giant Tetragonal Compound Bi2ZnVO6 and Its Stability under Pressure," Chem. Mater., 27[6] 2012-2017 (2015).

A03公募研究(藤田) 配位の特異性を活用した機能性酸化物の創製

  1. *H. Akamatsu, *K. Fujita, T. Kuge, A. S. Gupta, A. Togo, S. Lei, F. Xue, G. Stone, J. M. Rondinelli, Long-Qing Chen, I. Tanaka, V. Gopalan, and K. Tanaka, "Inversion symmetry breaking by oxygen octahedral rotations in the Ruddlesden-Popper NaRTiO4 family", Phys. Rev. Lett., 112 [18] 187602-(1-5) (2014).
  2. *H. Hojo, *K. Fujita, H. Ikeno, T. Matoba, T. Mizoguchi, I. Tanaka, T. Nakamura, Y. Takeda, T. Okane, and K. Tanaka, "Magnetic structures of FeTiO3-Fe2O3 solid solution thin films studied by soft X-ray magnetic circular dichroism and ab initio multiplet calculations", App. Phys. Lett., 104 [11] 112408-(1-5) (2014).

A03公募研究(横井) ゼオライト骨格の原子配列制御による高選択的反応場の構築

  1. H. Yamazaki,T. Yokoi, T. Tatsumi and *J. N. Kondo, “Intra-molecular H/D exchange of ethanol catalyzed by acidic OH groups on H-ZSM-5 zeolite”, J. Phys. Chem. Lett., 5, 3528-3531 (2014), (DOI: 10.1021/jz5018625).
  2. Trees De Baerdemaeker, Hermann Gies, Bilge Yilmaz, Ulrich M¨uller, Mathias Feyen, Feng-Shou Xiao, Weiping Zhang, Toshiyuki Yokoi, Xinhe Bao and *Dirk E. De Vos, “A new class of solid Lewis acid catalysts based on interlayer expansion of layered silicates of the RUB-36 type with heteroatoms”, J. Mater. Chem. A, 2, 9709-9717 (2014). (DOI: 10.1039/C4TA01384K)

A03公募研究(舟窪) 蛍石構造を有する薄膜の強誘電性発現機構の解明と新規強誘電体物質群の創出

  1. Takao Shimizu, Tatsuhiko Yokouchi, Takahiro Oikawa, Takahisa Shiraishi, Takanori Kiguchi, Akihiro Akama, Toyohiko J. Konno, Alexei Gruverman, and *Hiroshi Funakubo, “Contribution of oxygen vacancies to the ferroelectric behavior of Hf0.5Zr0.5O2 thin films”, Appl. Phys. Lett., 106, 112904-1-5 (2015).
  2. Takao Shimizu, Tatsuhiko Yokouchi, Takahisa Shiraish, Takahiro Oikawa, P. S. Sankara Rama Krishnan, and *Hiroshi Funakubo, “Study on the effect of heat treatment conditions on metalorganic-chemical-vapor-deposited ferroelectric Hf0.5Zr0.5O2 thin film on Ir electrode”, Jpn. J. Appl. Phys., 53, 09PA04-1-6 (2014).

A03公募研究(柳田) ナノ構造情報に基づく単結晶酸化物ナノワイヤの材料創製

  1. He, Y., K.Nagashima, M.Kanai, G.Meng, F.Zhuge, S.Rahong, X.Li, T.Kawai and *T.Yanagida, “Nanoscale Size-Selective Deposition of Nanowires by Micrometer Scale Hydrophilic Patterns”, Sci. Rep., 4, 5943 (2014).
  2. Fuwei, Z., *T.Yanagida, N.Fukata, K.Uchida, M.Kanai, K.Nagashima, G.Meng, Y.He, S.Rahong, X.Li and T.Kawai, “Modulation of Thermoelectric Power Factor via Radial Dopant Inhomogeneity in B-doped Si Nanowires” J. Am. Chem. Soc., 136, 14100 (2014).