■ Original Papers

110) J. Koettgen, S. Grieshammer, P. Hein, B. O. H. Grope, M. Nakayama, M. Martin, "Understanding the ionic conductivity maximum in doped ceria: trapping and blocking", Phys. Chem. Chem. Phys. in press (2018) [Link] (perspective article) 


109) R. Jalem, M. Nakayama, Y. Noda, T. Le, I. Takeuchi, Y. Tateyama, H. Yamasaki, "A general representation scheme for crystalline solids based on Voronoi-tessellation real feature values and atomic property data", STAM, in press (2018) [Link]


108) T. Okubo, K. Himoto, K. Tanishima, S. Fukuda, Y. Noda, M. Nakayama, K. Sugimoto, M. Maekawa, T. Kuroda-sowa, "Crystal Structure and Band-Gap Engineering of a Semiconducting Coordination Polymer Consisting of Copper(I) Bromide and a Bridging Acceptor Ligand", Inorg. Chem. in press (2018) [Link]


107) N. Zettsu, H. Shiiba, H. Onodera, K. Nemoto, T. Kimijima, K. Yubuta, M. Nakayama, K. Teshima, "Thin and Dense Solid-solid Heterojunction Formation Promoted by Crystal Growth in Flux on a Substrate", Sci. Rep. 8, 96 (2018) [Link]


106) Y. Noda, K. Nakano, H. Takeda, M. Kotobuki, L. Lu, M. Nakayama, "Computational and Experimental Investigations of the Electrochemical Stability and Li-Ion Conduction Mechanism of LiZr2(PO4)3", Chem. Mater.,29, 8983-8991 (2017) [Link]


105) K. Sato, M. Nakayama, Al. M. Glushenkov, T. Mukai, Y. Hashimoto, K. Yamanaka, M. Yoshimura, T. Ohta, N. Yabuuchi, "Na-Excess Cation-Disordered Rocksalt Oxide: Na1.3Nb0.3Mn0.4O2", Chem. Mater., 29, 5043-5047 (2017) [Link]


104) M. Nakayama, N. Nishimura, Y. Kondo, H. Takeda, T. Kasuga, "Laplace Transform Impedance Analysis in the Two-Phase Coexistence Reaction of Spinel Li1+xMn2O4 Positive Electrode", J. Solid State Electrochemistry, 21, 1137-1143  (2017) [Link]


103) N. Yabuuchi, M. Nakayama, M. Takeuchi, S. Komaba, Y. Hashimoto, T. Mukai, H. Shiiba, K. Sato, Y. Kobayashi, A. Nakao, M. Yonemura, K. Yamanaka, K. Mitsuhara, T. Ohta, "Origin of stabilization and destabilization in solid-state redox reaction of oxide ions for lithium-ion batteries", Nature Commun. 7, 13814 (2016) [Link]



102) T. Itoh, M. Mori, Y. Idemoto, H. Imai, M. Nakayama, "Annealing effect on phase stability of doped zirconia using experimental and computational studies", Solid State Ionics, 297, 20-28 (2016) [Link]


101) R. Jalem, Y. Morishita, T. Okajima, H. Takeda, Y. Kondo, M. Nakayama, T. Kasuga, " Experimental and First-Principles DFT Study on the Electrochemical Reactivity of Garnet-Type Solid Electrolytes with Carbon ", J. Mater. Chem. A. 4, 14371-14379, (2016) [Link]


100) K. Kubota, T. Asari, H. Yoshida, N. Yabuuchi, H. Shiiba, M. Nakayama, S. Komaba, "Understanding the Structural Evolution and Redox Mechanism of a NaFeO2–NaCoO2 Solid Solution for Sodium-Ion Batteries", Adv. Funct. Mater. 26, 6047–6059 (2016) [Link]


99) M. Hojamberdiev, E. Zahedi, E. Nurlaela, K. Kawashima, K. Yubuta, M. Nakayama, H. Wagata, T. Minegishi, K. Domen, K. Teshima, " The cross-substitution effect of tantalum on the visible-light-driven water oxidation activity of BaNbO2N crystals grown directly by an NH3-assisted flux method ", J. Mater. Chem. A, 4, 12807-12817 (2016) [Link]


98) K. Kawashima, M. Hojamberdiev, H. Wagata, M. Nakayama, K. Yubuta, S. oishi, K. Domen, K. Teshima, ”Amount of tungsten dopant influencing the photocatalytic water oxidation activity of LaTiO2N crystals grown directly by an NH3-assisted flux method”, Catal. Sci. Technol. 6, 5389-5396 (2016) [Link]


97) S. Grieshammer, M. Nakayama, M. Martin, "Association of defects in doped non-stoichiometric ceria from first principles", Phys. Chem. Chem. Phys. 18, 3804-3811 (2016) [Link]


96) R. Jalem, R. Natsume,  M. Nakayama, T. Kasuga, "First-Principles Investigation of the Na+ Ion Transport Property in Oxyfluorinated Titanium (IV) Phosphate Na3Ti2P2O10F", J. Phys. Chem. C, 120,1438–1445 (2016) [Link]


95) M. Nakayama, S.Yamada, R. Jalem, T. Kasuga, "Density functional studies of olivine-type LiFePO4 and NaFePO4 as positive electrode materials for rechargeable lithium and sodium ion batteries", Solid State Ionics, 286, 40-44 (2016) [Link]


94) M. Nakayama, M. Kimura, R. Jalem, T. Kasuga, "Efficient automatic screening for Li ion conductive inorganic oxides with bond valence pathway models and percolation algorithm", Jpn. J. Appl. Phys. 55, 01AH05 (2016) [Link]


93) H. Sumi, T. Ohshiro, M. Nakayama, T. Suzuki, Y. Fujishiro, "Prevention of Reaction between (Ba,Sr)(Co,Fe)O3 Cathodes and Yttria-stabilized Zirconica Electrolytes for Intermediate-temperature Solid Oxide Fuel Cells", Electrochim Acta., 184, 403-409 (2015) [Link]


92) R. Jalem, M. Nakayama, W. Manalastas, J. A. Kilner, R. W. Grimes, T. Kasuga, K. Kanamura, "Insights into the Lithium-Ion Conduction Mechanism of Garnet-Type Cubic Li5La3Ta2O12 by ab-Initio Calculations", J. Phys. Chem. C, 119, 20783–20791 (2015) [Link]


91) N. Yabuuchi, M. Takeuchi, M. Nakayama, H. Shiiba, M. Ogawa, K. Nakayama, T. Ohta, D. Endo, T. Ozaki, T. Inamasu, K. Sato, S. Komaba, "High-capacity electrode materials for rechargeable lithium batteries: Li3NbO4-based system with cation-disordered rocksalt structure", Proc. Nat. Acad. Sci., 112, 7650-7655, (2015) [Link]


90) R. Jalem, M. Kimura, M. Nakayama, T. Kasuga, "Informatics-aided DFT Study on the Li ion Transport of Tavorite-type LiMTO4F (M3+-T5+, M2+-T6+)", J. Chem. Inform. Model. 55, 1158–1168 (2015) [Link]


89) H. Shiiba, N. Zettsu, M. Nakayama, S. Oishi, K. Teshima, "Defect Formation Energy in Spinel LiNi0.5Mn1.5O4-δ Using Ab Initio DFT Calculations", J. Phys. Chem. C, 119, 9117-9124 (2015) [Link]


88) R. Jalem, M. Rushton, W. Manalastas, M. Nakayama, T. Kasugga, J. A. Kilner, R. W. Grimes, "Effects of Gallium Doping in Garnet-Type Li7La3Zr2O12 Solid Electrolytes", Chem. Mater. 27, 2821-2831 (2015) [Link]


87) K. Kubota, I. Ikeuchi, T. Nakayama, C. Takei, N. Yabuuchi, H. Shiiba, M. Nakayama, S. Komaba, "New Insight into Structural Evolution in Layered NaCrO2 during Electrochemical Sodium Extraction", J. Phys. Chem. C 119, 166-175 (2014) [Link]


86) T. Oine, H. Maeda, T. Tsuzuki, M. Nakayama, T. Kasuga, J. Solid State Electrochem., "Relationship between electrical conductivities and structure of hybrid materials derived from mixtures of zinc phosphate glasses with different phosphate-chain lengths and benzimidazole", J. Solid State Electrochem. 19, 907-912 (2014) [Link]


85) M. Nakayama, H. Taki, T. Nakamura, S. Tokuda, R. Jalem, T. Kasuga,  "Combined Computational and Experimental Study of Li Exchange Reaction at the Surface of Spinel LiMn2O4 as a Rechargeable Li-ion Battery Cathode", J. Phys. Chem. C 118, 27245–27251 (2014) [Link]


84) R. Jalem, M. Nakayama, T. Kasuga,  "Alkali Ion Transport in Tavorite-Type ABTO4X (A: Li, Na; B-T: Al-P, Mg-S; X: F)", Electrochem., 82, 851-854 (2014) [Link]


83) H. Maeda, Y. Kurosaki, T. Nakamura,  M. Nakayama, E. H. Ishida, T. Kasuga, "Control of chemical composition of hydrogrossular prepared by hydrothermal reaction", Mater. Lett., 131, 132-134, (2014) [Link]


82) I. Kagomiya, K. Jimbo, K. Kakimoto, M. Nakayama, O. Masson "Oxygen vacancy formation and the ion migration mechanism in layered perovskite (Sr,La)3Fe2O7-d", Phys. Chem. Chem. Phys., 16, 10875-10882  (2014) [Link


81) O. Noked, A. Melchior, R. Shuker, S. Chizawa, H. P. Liermann, B. J. Kennedy, M. Nakayama, E. Sterer. High Pressure structural studies of LixLa1/3NbO3 (x=1/6,1/3,1/2,2/3), Phys. Chem. Minerals, 41, 333-340 (2014) [Link]


80) Y. Inaguma, A. Aimi, Y. Shirako, D. Sakurai, D. Mori, H. Kojitani, M. Akaogi, M. Nakayama, "High-Pressure Synthesis, Crystal Structure, Phase Stability relations of a LiNbO3-Type Polar Titanate ZnTiO3 and its Reinforced Polarity by Second-Order Jahn-Teller Effect ", J. Am. Chem. Soc., 136, 2748–2756 (2014) [Link]


79) R. Jalem, M. Nakayama, T. Kasuga, "An Efficient Rule-Based Screening Approach for Discovering Fast Lithium Ion Conductors Using Density Functional Theory and Artificial Neural Networks ", J. Mater. Chem. A, 2, 720-734 (2014) [Link]


78) M. Nakayama, R. Jalem, T. Kasuga, "Electronic Structure of Spinel-type LiNi1/2Ge3/2O4 and LiNi1/2Mn3/2O4 as Positive Electrodes for Rechargeable Li Ion Batteries Studied by First-Principles Density Functional Theory",Solid State Ionics. 262, 74-76 (2013)  [Link]


77) R. Jalem, M. Nakayama, T. Kasuga, "Lithium Ion Conduction in Tavorite-Type LiMXO4F (M-X: Al-P, Mg-S) Candidate Solid Electrolyte Materials", Solid State Ionics, 262, 589–592 (2013)  [Link]


76) H. Shiiba, C. L. Bishop, M. J. D Rushton, M. Nakayama, M. Nogami, J. A. Kilner, R. W. Grimes, "Effect of A-site Cation Disorder on Oxygen Diffusion in Perovskite-type Ba0.5Sr0.5Co1-xFexO2.5", J. Mater. Chem. A, 1, 10345-10352 (2013) [Link]


75) M. Nakayama, T. Okajima, Y. Yamamoto, S. Baba, K. Iizuka, M. Nogami, D. Mochizuki, T. Kiguchi, S. Kuroki, "Fabrication and Electrochemical Performance of Lithium Polymer Battery Using Mesoporous Silica/Polymer Hybrid Electrolyte", J. Ceram. Soc. Jpn. 121, 723-729 (2013) [Link]


74) M. Nakayama, S. Hotta, T. Nakamura, T. Kasuga, "Morphology and surface structure of cubic BaTiO3 using first-principles Density Functional Theory", J. Ceram. Soc. Jpn. 121, 611-613, (2013) [Link]


73) H. Shiiba, M. Nakayama, T. Kasuga, R. Grimes, J. Kilner , "Calculation of Arrangement of Oxygen Ions and Vacancies in Double Perovskite GdBaCo2O5+d by First-principles DFT with Monte Carlo Simulations", Phys. Chem. Chem. Phys., 15, 10494-10499 (2013). [Link]


72) R. Jalem, Y. Yamamoto, H. Shiiba, M. Nakayama, H. Munakata, T. Kasuga, K. Kanamura, "A Concerted Migration Mechanism in the Li Ion Dynamics of Garnet-Type Li7La3Zr2O12", Chem. Mater., 25, 425-430 (2013) [Link]


71) M. Nakayama, M. Fukumine, M. Wakihara, "First-Principles Study of Lithium Ion Migration in Lithium Transition Metal Oxides with Spinel Structure", Phys. Chem. Chem. Phys., 14, 13963-13970 (2012) [Link]


70) R. Jalem, Y. Mochizuki, K. Nobuhara, M. Nakayama, M. Nogami, "Global Minimum Structure Search in LixCoO2 Composition Using Hybrid Evolutionary Algorithm", Phys. Chem. Chem. Phys., 14, 13095-13100 (2012) [Link]


69) M. Nakayama, M. Kotobuki, H. Munakata, M. Nogami, K. Kanamura, "First-principles density functional calculation of electrochemical stability of fast Li ion conducting garnet-type oxides", Phys. Chem. Chem. Phys., 14, 10008-10014 (2012) [Link]


68) M. Nogami, A. Kato, M. Nakayama , G. Lakshminarayana, "Proton conduction in ionic liquid-modified P2O5-SiO2 glasses ", J. Non-cryst. Solids, 358, 34953500 (2012) [Link]


67) R. Jalem, T. Aoyama, M. Nakayama, M. Nogami, "Multivariate Method-Assisted Ab Initio Study of Olivine-Type LiMXO4 (Main Group M2+-X5+ and M3+-X4+) Compositions as Potential Solid Electrolytes", Chem. Mater., 24, 1357-1364 (2012) [Link]


66) T. Itoh, M. Nakayama, "Using in situ X-ray absorption spectroscopy to study the local structure and oxygen ion conduction mechanism in (La0.6Sr0.4)(Co0.2Fe0.8)O3-d", J. Solid State Chem., 192, 3846(2012) [Link]


65) M. Nakayama, H. Oshima, M. Nogami, M. Martin, "Concerted Migration Mechanism of Mixed Oxide Ion and Electron Conduction in Reduced Ceria Studied by First-Principles Density Functional Theory", Phys. Chem. Chem. Phys., 14, 6079-6084 (2012) [Link]


64) B. O. H. Grope, T. Zacherle, M. Nakayama, M. Martin, "Oxygen ion conductivity of doped ceria: A Kinetic Monte Carlo study", Solid State Ionics, 225, 476483 (2012) [Link]


63) T. Itoh, S. Shirasaki, H. Ofuchi, S. Hirayama, T. Honma, M. Nakayama, "Oxygen partial pressure dependence of in situ X-ray absorption spectroscopy at the Co and Fe K edges for (La0.6Sr0.4)(Co0.2Fe0.8)O3d", Solid State Commun. 152, 278-283 (2012) [Link]


62) M. Nakayama, K. Iizuka, H. Shiiba, S. Baba, M. Nogami, "Asymmetry in Anodic and Cathodic Porlariztion Profile for LiFePO4 Positive Electrode in Rechargeable Li Ion Battery", J. Ceram. Soc. Jpn. 119, 692-686 (2011) [Link]


61) R. Jalem, R. Koike, Y. Yang, M. Nakayama, M. Nogami, "Electrochemical Characterization of a porous Pt nanoparticle "Nanocube-Mosaic" prepared by a modified polyol method with HCl addition", Nano Research. 4, 746-758 (2011) [Link]


60) M. Nakayama, Y. Sugiura, T. Hayakawa, M. Nogami, "Novel Proton Conductor of Imidazole?Aluminum Phosphate Hybrids in Solid State", Phys. Chem. Chem. Phys. 13, 9439-9444 (2011) [Link]


59) J. Cabana, J. Shirakawa, M. Nakayama, M. Wakihara, C. P. Grey, "Effect of ball-milling and lithium insertion on the lithium mobility and structure of Li3Fe2(PO4)3", J. Mater. Chem., 21, 10012-10020 (2011) [Link]


58) M. Nakayama, S. Wada, S. Kuroki, M. Nogami, "Factors Affecting Cyclic Durability of All-Solid-State Lithium Polymer Batteries Using Poly(ethylene oxide)-Based Solid Polymer Electrolytes", Energy & Environmental Science, 3, 1995-2002 (2010) [Link]


57) M. Nogami, H. Shiiba, G. A. Kleine, M. Nakayama, T. Hayakawa, "Hydrogen Gas Permeation Through Al2O3-SiO2 Glasses Containing Metal Ions", J. Am. Ceram. Soc. 93, 3752-3756 (2010) [Link]


56) H. Shiiba, M. Nakayama, M. Nogami, "Ionic conductivity of Lithium in spinel-type Li4/3Ti5/3O4-LiMg1/2Ti3/2O4 solid-solution system", Solid State Ionics, 181, 994-1001, (2010) [Link]


55) M. Nakayama, M. Nogami, "First-Principles Study on Phase Transition Induced by Charge Ordering of Mn3+/Mn4+ in Spinel LiMn2O4", Solid State Commun. 150, 1329-1333, (2010) [Link]


54) T.Rajkumar, M. Nakayama, M. Nogami, "Ab initio prediction for the ionic conduction of lithium in LiInSiO4 and LiInGeO4 Olivine Materials", Solid State Commun. 150, 693-696, (2010). [Link]


53) M. Nakayama, M. Nogami, M. Yoshida, T. Katsumata, Y. Inaguma, "First-Principles Studies on Novel Polar Oxide ZnSnO3; Pressure-induced Phase Transition and Electric Properties", Adv. Mater. 22, 2579-2582, (2010) [Link]


52) C. Koga, S. Wada, M. Nakayama, "All solid-state lithium polymer secondary batteries using spinel Li4/3Ti5/3O4 as an active material", Electrochim Acta. 55, 2561-2566 (2010). [Link]


51) M. Nakayama, A. Shirasawa, T. Saito, "Arrangement of La and Vacancies in La2/3TiO3 Predicted by First-Principles Density Functional Calculation with Cluster Expansion and Monte Carlo simulation", J. Ceram. Soc. Jpn. 117, 911-916 (2009) [Link]


50) F. Kaneko, S. Wada, M. Nakayama, M. Wakihara, S. Kuroki, "Dynamic Transport for Li-conductive Polymer Electrolytes Plasticized with PEG-borate/aluminate ester by NMR Combined with AC Impedance Measurements", ChemPhysChem, 10, 1911-1915 (2009) [Link]


49) T.J. Patey, R. Buchel, M. Nakayama, P. Novak, "Electrochemistry of LiMn2O4 nanoparticles made by flame spray pyrolysis", Phys. Chem. Chem. Phys., 11, 3756-3761 (2009) [Link]


48) M. Nakayama, M. Martin, "First-principles Study on Defect Chemistry and Migration of Oxide Ions in Ceria Doped with Rare-earth Cations", Phys. Chem. Chem. Phys., 11, 3241-3249 (2009) [Link]


47) F. Kaneko, S. Wada, M. Nakayama, M. Wakihara, J. Koki, S. Kuroki, "Capacity Degradation Mechanism in All Solid-State Lithium Polymer Secondary Batteries Using PEG-borate/aluminate ester as Plasticizer for Polymer Electrolytes", Adv. Funct. Mater., 19, 918-925 (2009) [Link]


46) W. Cho, W. Ra, T. Kashiwagi, M. Nakayama, M. Wakihara, Y. Kobayashi, H. Miyashiro, "Relationship between Electrochemical Behavior and Li/Vacancy Arrangement in Ramsdellite type Li2+xTi3O7", Electrochim. Acta, 54, 1842-1850 (2009) [Link]


45) M. Nakayama, M. Wakihara, "第一原理バンド計算によるリチウムイオン電池正極材料LiMPO4(M=Mn, Fe,Co, Ni)のバルク特性の研究", (“Ab initio DFT studies on Olivine-type LiMPO4 (M=Mn, Fe, Co, Ni) electrode materials for Lithium ion battery"), Electrochemistry, 76, 752 (2008) (in Japanese) [Link]


44) M. Kaneko, M. Nakayama, Y. Wakizaka, K. Kanamura, M. Wakihara, "Enhancement of Electrochemical Ion/Electron Transfer Reaction at Solid|Liquid Interface by Polymer Coating on Solid Surface", Electrochim. Acta, 53, 8196-8202 (2008) [Link]


43) M. Nakayama, S. Matsuno, J. Shirakwa, M. Wakihara, "First-Principles Study on Phase Stability in LixCuSb with Heusler-type Structure", J. Electrochem. Soc. 155, A505-A511 (2008) [Link]


42) S. Matsuno, M. Noji, M. Nakayama, M. Wakihara, Y. Kobayashi, H. Miyashiro, "Dynamics of Phase Transition in Li-Cu-Sb Anode Material for Rechargeable Lithium Ion Battery", J. Electrochem. Soc. 155, A15-A157 (2008) [Link]


41) S. Matsuno, M. Nakayama, M. Wakihara, "Anode Material of CoMnSb for Rechargeable Li-ion battery", J. Electrochem. Soc., 155, A61-A65 (2008) [Link]


40) Y. Kobayashi, Y. Mita, S. Seki, Y. Ohno, H. Miyashiro, M. Nakayama, M. Wakihara, "Configurational Entropy of Lithium Manganese Oxide and Related Materials, LiCryMn2-yO4 (y=0,0.3)", J. Electrochem. Soc., 155, A14-A19 (2008) [Link]


39) Z. Bakenov, M. Nakayama, M. Wakihara, I. Taniguchi, "Lithium AlPO4 Composite Polymer Battery with Nanostructured LiMn2O4 Cathode", J. Solid State Electrochem., 12, 295-302, (2007) [Link]


38) F. Kaneko, Y. Masuda, M. Nakayama, M. Wakihara, "Electrochemical

Performances of Lithium Ion Battery Using Alkoxides of Group 13 as Electrolyte Solvent", Electrochimica Acta, 53, 549-554 (2007) [Link]


37) Z. Bakenov, M. Nakayama, M. Wakihara, "A Nonflammable Lithium Polymer Battery with High Performance for Elevated Temperature Applications", Electrochem. Solid-State Lett. 10, A208-A211 (2007) [Link]


36) Y. Masuda, M. Nakayama, M. Wakihara, "Fabrication of All Solid-State Lithium Polymer Secondary Batteries Using PEG-borate/aluminate ester as Plasticizer for Polymer Electrolyte", Solid State Ionics, 178, 981-986 (2007) [Link]


35) S. Matsuno, M. Noji, T. Kashiwagi, M. Nakayama, M. Wakihara, "Construction of the Ternary Phase Diagram in Li-Cu-Sb System as Anode Material for Lithium Ion Battery", J. Phys. Chem. C, 111, 7548-7553 (2007) [Link]


34) J. Shirakawa, M. Nakayama, M. Wakihara, Y. Uchimoto, "Changes in Electronic Structure upon Lithium Insertion into Fe2(SO4)3 and Fe2(MoO4)3 Investigated by X-ray Absorption Spectroscopy", J. Phys. Chem. B, 111, 1424-1430 (2007) [Link]


33) M. Kaneko, M. Nakayama, M. Wakihara, "Lithium-ion conduction in elastomeric binder in Li-ion batteries", J. Solid State Electrochem. 11, 1071-1076 (2006) [Link]


32) M. Nakayama, K. Miwa, H. Ikuta, H. Hinode, M. Wakihara, "Electronic Structure of Intercalation Compounds of CoxNbS2", Chem. Mater. 18, 4996-5001 (2006) [Link]


31) W. Cho, W. Ra, J. Shirakawa, M. Nakayama, M. Wakihara, "Synthesis and electrochemical properties of nonstoichiometric LiAlxMn2-xO4-<delta> as cathode materials for rechargeable lithium ion battery", J. Solid State Chem. 179, 3534-3540 (2006) [Link]


30) J. Shirakawa, M. Nakayama, M. Wakihara, Y. Uchimoto, "Changes in Electronic Structure upon Li Insertion Reaction of monoclinic Li3Fe2(PO4)3", J. Phys. Chem. B 110, 17743-17750 (2006) [Link]


29) M. Nakayama, J. Shirakawa, M. Wakihara, "Ab initio Density Functional Study on Changes in Local Structure in Perovskite Compund, LixLa1/3NbO3", Solid State Ionics, 177, 1259-1266 (2006) [Link]


28) Y. Masuda, M. Seki, M. Nakayama, M. Wakihara, H. Mita, "Study on Ionic Conductivity of Polymer Electrolyte Plasticized with PEG-Aluminate Ester for Rechargeable Lithium Ion Battery", Solid State Ionics, 177, 843-846 (2006) [Link]


27) J. Shirakawa, M. Nakayama, Y. Uchimoto, M. Wakihara, "Multiple Scattering Calculation for Co K-edge XANES Spectra of Nanometer Scale Metal Deposited during Li Insertion into LiCoVO4", Electrochem. Solid State Lett. 9, A200-A202 (2006) [Link]


26) T. Kashiwagi, M. Nakayama, K. Watanabe, M. Wakihara, Y. Kobayashi, H. Miyashiro, "Relationship between the Electrochemical Behavior and Li Arrangement in LixMyMn2-yO4 (M=Co, Cr) with Spinel Structure", J. Phys. Chem. B., 110, 4998-5004 (2006) [Link]


25) W. Ra, M. Nakayama, W. Cho, M. Wakihara, Y. Uchimoto, "Electronic and local structural changes in Li2+xTi3O7 ramsdellite compounds upon electrochemical Li-ion insertion reactions by X-ray absorption spectroscopy", Phys. Chem. Chem. Phys., 8, 882-889 (2006) [Link]


24) H. Miyashiro, A. Yamanaka, M. Tabuchi, S. Seki, M. Nakayama, Y. Ohno, Y. Kobayashi, Y. Mita, A. Usami, M. Wakihara, "Improvement of Degradation at Elevated Temperature and at High State-of-Charge Storage by ZrO2 Coating on LiCoO2", J. Electrochem. Soc., 153, A348-A353 (2006) [Link]


23) H. Miyashiro, Y. Kobayashi, S. Seki, Y. Mita, A. Usami, M. Nakayama, M. Wakihara, "Fabrication of All-Solid-State Lithium Polymer Secondary Batteries Using Al2O3-Coated LiCoO2", Chem. Mater. 17, 5603-5605 (2005) [Link]


22) M. Nakayama, M. Wakihara, Y. Kobayashi, H. Miyashiro, "Investigation on the Arrangement of Lithium Ions in LixLa1/3NbO3 with Perovskite Structure", J. Phys. Chem. B., 109, 14648-14653 (2005) [Link]


21) M. Nakayama, S. Goto, Y. Uchimoto, M. Wakihara, Y. Kitajima, T. Miyanaga, I. Watanabe, "X-Ray Absorption Spectroscopic Study on Electron Exchange in Li1-xCoPO4 Electrodes as 4.8 V Positive Electrodes for Rechargeable Lithium Ion Batteries ", J. Phys. Chem. B., 109, 11197-11203 (2005) [Link]


20) M. Nakayama, T. Usui, Y. Uchimoto, M. Wakihara, M. Yamamoto, "Changes in Electronic Structure upon Lithium Insertion into the A-Site Deficient Perovskite Type Oxides (Li,La)TiO3 ", J. Phys. Chem. B, 109, 4135-4143 (2005). [Link]


19) W. Ra, M. Nakayama, Y. Uchimoto, M. Wakihara, "Experimental and Computational Study of the Electronic Structural Changes in LiTi2O4 Spinel Compounds upon Electrochemical Li Insertion Reactions", J. Phys. Chem. B, 109, 1130-1134, (2005). [Link]


18) M. Nakayama, Y. Uchimoto, M. Wakihara, "Investigation on cycleability in LixLa1/3NbO3 electrode material for rechargeable lithium ion battery", J. Power Sources, 146, 674-677 (2005) [Link]


17) M. Nakayama, S. Goto, Y. Uchimoto, M. Wakihara, Y. Kitajima, "Changes in Electronic Structure between Cobalt and Oxide Ions of Lithium Cobalt Phosphate as 4.8 V Positive Elecrode Material", Chem. Mater.,16, 3399-3401 (2004) [Link]


16) W. Ra, M. Nakayama, H. Ikuta, Y. Uchimoto, M. Wakihara, "X-ray absorption spectroscopy study on electronic structure of Li-excess spinel Li1+xTi2-xO4 (0<x<0.33)", Appl. Phys. Lett., 84, 4364-4366 (2004) [Link]


15) M. Nakayama, H. Ikuta, Y. Uchimoto, M. Wakihara, "Relationship between the Li ionic conduction and the local structures in LiyLa(1-y)/3NbO3", Appl. Phys. Lett., 84, 4227-4229 (2004) [Link]


14) M. Nakayama, M. Kaneko, Y. Uchimoto, M. Wakihara, K. Kawamura, "Molecular Dynamics Simulations of LiCoyMn2-yO4 Cathode Materials for Rechargeable Li Ion Batteries", J. Phys. Chem. B, 108, 3754-3759, (2004). [Link]


13) M. Nakayama, K. Imaki, Y. Uchimoto, M. Wakihara, "Changes in electronic structure upon lithium insertion reaction into the A-site deficient Perovskite type oxides, Gd1/3TaO3: Part2. ab initio calculations", Solid State Ionics, 172, 77-80 (2004) [Link]


12) K. Imaki, M. Nakayama, Y. Uchimoto, M. Wakihara, "Changes in electronic structure upon lithium insertion reaction into the A-site deficient Perovskite type oxides, Gd1/3TaO3: Part1. XAS measurements", Solid State Ionics, 172, 73-76 (2004) [Link]


11) J. Shirakawa, M. Nakayama, H. Ikuta, Y. Uchimoto, M. Wakihara, "Lithium Insertion/Removal Mechanism of LiCoVO4 Lithium Ion Cells", Electrochem.Solid State Lett., 7, A27-A29 (2004) [Link]


10) M. Nakayama, W. Ra, H. Ikuta, Y. Uchimoto, M. Wakihara, "O K-edge X-ray absorption spectroscopic studies of LixLa1/3NbO3 using ab initio multiple scattering calculation", Electrochemistry, 71, 1025-1026 (2003) [Link]


9) M. Nakayama, K. Watanabe, H. Ikuta, Y. Uchimoto, M. Wakihara, "Grain size control of LiMn2O4 cathode material using microwave synthesis method", Solid State Ionics, 164, 35-42 (2003) [Link]


8) M. Nakayama, H. Ikuta, Y. Uchimoto, M. Wakihara, Y. Terada, T. Miyanaga, I. Watanabe, "Changes in Local Structure during Electrochemical Li Insertion into A-Site Deficient Perovskite Oxides, La1/3NbO3", J. Phys. Chem. B, 107, 10715-10721 (2003) [Link]


7) M. Nakayama, H. Ikuta, Y. Uchimoto, M. Wakihara, "Study on the AC Impedance Spectroscopy for the Li Insertion Reaction of LixLa1/3NbO3 at the Electrode-Electrolyte Interface", J. Phys. Chem. B, 107, 10603-10607 (2003) [Link]


6) M. Nakayama, K. Imaki, W. Ra, H. Ikuta, Y. Uchimoto, M. Wakihara, "Using X-ray Absorption Spectroscopy to Measure Changes of Electronic Structure Accompanying Lithium Insertion into the Perovskite Type Oxides", Chem. Mater., 15, 1728-1733 (2003) [Link]


5) M. Kaneko, S. Matsuno, T. Miki, M. Nakayama, H. Ikuta, Y. Uchimoto, M. Wakihara, K. Kawamura, "Local Structural Studies of LiCryMn2-yO4 Cathode Materials for Li-Ion Batteries", J. Phys. Chem. B, 107, 1727-1733 (2003) [Link]


4) M. Nakayama, H. Ikuta, Y. Uchimoto, M. Wakihara, "Relationship between the Li ionic conduction and the local structures in B-site substituted Perovskite compounds (Li0.1La0.3)1+xMxNb1-xO3 (M = Zr, Ti; x = 0, 0.05)", Appl. Phys. Lett., 81, 2977-2979 (2002) [Link]


3) M. Nakayama, K. Imaki, H. Ikuta, Y. Uchimoto, M. Wakihara, "Electrochemical Lithium Insertion for Perovskite Oxides of LiyLa(1-y)/3NbO3 (y=0, 0.1, 0.25)", J. Phys. Chem. B, 106, 6437-6441 (2002) [Link]


2) M. Nakayama, H. Ikuta, Y. Uchimoto, M. Wakihara, "Ionic conduction of lithium in B-site substituted perovskite compounds, (Li0.1La0.3)yMxNb1-xO3 (M = Zr, Ti, Ta)", J. Mater. Chem., 12, 1500-1504 (2002) [Link


1) M. Nakayama, Y. Ishida, H. Ikuta, M. Wakihara, "Mixed conduction for the spinel type (1-x)Li4/3Ti5/3O4-xLiCrTiO4 system", Solid State Ionics, 117, 265-271 (1999) [Link]


■ Book, Review articles

20)野田祐輔, 中山将伸, "データサイエンスと材料計算による蓄電池材料探索", 鉱山, 763, 29-37 (2018)


19)中山将伸, "材料計算による蓄電池の高出力化を指向した材料設計", J. Flux Growth, 11, 22-26 (2016)


18) 春日敏宏、前田浩孝、中山将伸、"燃料電池電解質を目的とした燐酸塩系プロトン伝導材料", Phosphorus Letter 86, 15-23 (2016)


17) 中山将伸, "マテリアルズ・インフォマティクスと蓄電池材料の開発", 現代化学, 544, 36-37 (2016)


16) Randy Jalem, Masanobu Nakayama, Introduction to Rational Molecular Modeling Approaches, (by Pascal Granger, Vasile I. Parvulescu, Serge Kaliaguine, Wilfrid Prellier) Perovskites and Related Mixed Oxides: Concepts and Applications, John Wiley & Sons, 2015.


15) 中山将伸、Randy Jalem、木村真夕実、春日敏宏、”材料シミュレーションによる蓄電池材料の探索”, 表面科学, 36, 527-532 (2015) [Link]


14) 中山将伸、信原邦啓、ランディ ハレム、春日敏宏、” リチウムイオン電池セラミックス材料のマテリアルズ・インフォマティクス”, セラミックス, 2015, 50, 546-551 [Link]


13) 中山将伸、Randy Jalem、春日敏宏、"計算科学からみたナトリウムイオン電池", 電気化学, 83, 176-181 (2015) [Link]


12) 中山将伸、春日敏宏、"リチウムイオン電池材料オリビン型リン酸塩化合物LiMPO4の第一原理計算による特性評価" (Materials Properities on Olivine-type LiMPO4 as Li Ion Battery Using First-principles Density Functional Theory)、Phosphorus Letter, 81, (2014)


11) 中山将伸, リチウムイオンの往復で電気を貯める, "トコトンやさしいイオン交換の本",岡田哲男、早川隆士編; 日刊工業新聞社 2013 [Link]


10) 春日敏宏、前田浩孝、中山将伸、"リン酸塩を利用したプロトン伝導性材料"、Phosphorus Letter, 77, 6 (2013)


9) 中山将伸, “ACインピーダンス法によるリチウムイオン電池電極反応の素過程解析”, 表面科学, 33, 87-92 (2011) [Link]


8) 中山将伸, "PEO系固体電解質とそれを用いた二次電池の特性"4.3pp.90-107: "全固体リチウムイオン二次電池の開発と製造技術", 監修:金村聖志 2011


7) 中山将伸, 川崎晋司, 岡島博司, "リチウムイオン電池大型化への道のり"実装可能なエネルギー技術で築く未来 -骨太のエネルギーロードマップ2, 加藤之貴, 安永裕幸, 柏木孝夫 監修",p 125-131", 化学工業社 (2010) [Link]



6) 中山将伸, "全固体型リチウムポリマー電池の製作と電気化学特性評価", 3.1pp.24-41: "次世代型二次電池材料の開発" 監修:金村聖志 シーエムシー出版 2009


5) 中山将伸(分担執筆), "化学事典 第2版",吉村壽次ほか編, 森北出版, 2009


4) M. Wakihara, M. Nakayama, Y. Kato, "Characterization of Solid Polymer Electrolytes and Fabrication of all Solid-State Lithium Polymer Secondary Batteries", Chapter 9, in 'Lithium ion rechargeable batteires; Materials, Technology, and New Applications'; Ed. K. Ozawa, Wiley-VCH, 2009.


3) 脇原將孝、中山将伸, "リチウムイオン電池電極反応の熱力学的取扱い"セラミックス, 42, 952, (2007)


3) M. Nakayama, M. Wakihara, "高リチウムイオン伝導性材料の設計" ("Materials Design for High Lithium Ionic Conductor"), Netsusokutei, 32,186-194, 2005. (in Japanese) [Link]


2) M. Nakayama, Y. Uchimoto, M. Wakihara, "Electrochemical lithium insertion into perovskite structure; Good example of crystal and electronic structural study for Li ion battery", in Recent Research Developments in Solid State Ionics', Transworld Research Network, 2, 367. 2005.


1) M. Nakayama, Y. Uchimoto, M. Wakihara, "Lithium ion battery - electron transfer reaction during lithium ion intercalation/deintercalation", Hyomen, 4, 130, 2003. (in Japanese) 


■ Miscellany

4) 中山将伸, 巻頭言「人工知能とビックデータとフラックス成長」, J. Flux Growth, 12, 1 (2017)


3) 中山将伸, 固体電解質/電極界面の観察―充放電サイクル後の状態変化―,44"リチウム二次電池部材 写真集" 技術情報協会 2011


2) 中山将伸, "リチウムイオン電池では、なぜ非水系液体中でイオンが移動できるのか? -非水系電解質を用いたリチウムイオン電池の現状と展望-"化学と教育, 54, 154, 2006


1) M. Nakayama, M. Kaneko, S. Matsuno, H. Ikuta, Y. Uchimoto, M. Wakihara, "Molecular Dynamics Simulations of LiCryMn2-yO4 with Spinel Structure"
in "New Trends in Intercalation Compounds for energy Storage and Conversion", Electrochemical Society Proceedings, Vol 2003-20, 255-260, 2004