Structural Chemistry Group (Ishida)

Research Field

Solid State Chemistry (Crystallography, Magnetic Resonance)

  • Molecular dynamics and phase transition in organic and organometallic crystals

  • Crystal engineering using intermolecular interactions

  • Intercalation chemistry of inorganic layered compounds
    Inorganic layered materials such as graphite intercalation compounds (GICs) and molybdenum(IV) sulfide (MoS2) are expected for several applications, for example, electrochemical devices, catalysts, superconducting materials, and precursors of thin film materials. We are studying syntheses and properties of new GICs and layered materials intercalating alkali metal cation (Li+, Na+, or K+) and several organic molecules, which will be available as electrode materials or catalysts. The structures and dynamics of intercalant molecules are investigated using X-ray diffraction and solid state nuclear magnetic resonance (ssNMR) to reveal the interaction between intercalants and host materials. These analyses are significant to understand the intercalation chemistry of new materials and diffusion property of alkali metals in 2D layers.

  • Reaction mechanism of lithium and sodium in electrode materials for next generation secondary batteries
    Secondary batteries are crucially important components, providing power for portable devices, transportation, and industries. Lithium ion batteries (LIBs) are commonly used as indispensable energy storage systems for consumer electronics and vehicles because of their high working voltage, high energy density, good charge–discharge cyclability, and other benefits. Sodium insertion materials are also attracted much attention as sodium ion batteries (NIBs), which might be an alternative to LIBs, because of its abundant resource, the second-lightest and second-smallest alkali metal next to lithium, and comparable electrode potential to that of LIBs. For the development of LIBs and NIBs, it is indispensable to elucidate the states of the lithium and sodium ions and the mechanism of charging–discharging on the electrodes. We are investigating the state of lithium and sodium in several electrode materials such as hard carbon, phosphorous, and layered 2D materials using 7Li and 23Na ssNMR in order to develop next generation secondary batteries. The aim of this study is developing methods to analyze the structure of electrodes and the state of lithium and sodium in the batteries, and revealing the reaction mechanism of lithium and sodium in electrode materials.


  • Hiroyuki Ishida Ph.D. (Prof.) e-mail : ishidah *To mail, please add (atmark)
  • Kazuma Gotoh Ph.D. (Associate Prof.) e-mail : kgotoh *To mail, please add (atmark)
  • Kaori Sasaoka
  • Hideka Ando(M2)
  • Ayumi Shikata(M1)
  • Amika Yokoi(M1)
  • Sakura Ohno(B4)
  • Momoko Ashizuka(B4)
  • Kazuki Yamaguchi(B4)
  • Ruu Oohashi(B4)
  • Shiho Nagasawa(B4)
  • Osamu Tagami(B3)
  • Sakuya Tada(B3)

Recent Publications?(Past Publications)


  1. [LiCl2]-Superhalide: A New Charge Carrier for Graphite Cathode of Dual-Ion Batteries
    K. Kim, L.Tang, P. Mirabedimi, A.Yokoi,J.M. Muratli, Q. Guo, M.M. Lerner,K. Gotoh, P. A. Greaney, C. Fang,and X. Ji
    Adv.Funct. Mater.,2112709.(2022)


  1. Zinc-based metal-organic frameworks for high-performance supercapacitor electrodes: Mechanism underlying pore generation
    S. Umezawa,T. Douura,K. Yoshikawa,D. Tanaka,V. Stolojan,S. Ravi P. Silva,M. Yoneda,K. Gotoh,Y. Hayashi
    Energy. Environ. Mater.,(2021) acccepted.
  2. Supercapacitor electrode with high charge density based on boron-doped porous carbon derived from covalent organic frameworks
    S. Umezawa, T. Douura, K. Yoshikawa, Y. Takashima, M. Yoneda, K. Gotoha V.Stolojan, S. Ravi P.Silva, Y. Hayashia, D. Tanaka
    Carbon, 184, 418-425 (2021).
  3. 23Na solid-state NMR analyses for Na-ion batteries and materials
    K. Gotoh
    Batter. Supercaps,4, 1267-1278 (2021)
  4. Na3V2O2(PO4)2F3-2 as a stable positive electrode for potassium-ion batteries
    P.R. Kumar, K. Kubota, Y. Miura, M. Ohara, K. Gotoh, S. Komaba
    J. Power Sources, 493, 229676 (2021).
  5. MgO‐Template Synthesis of Extremely High Capacity Hard Carbon for Na‐Ion Battery
    A. Kamiyama, K. Kubota, D. Igarashi, Y. Youn, Y. Tateyama, H. Ando, K. Gotoh, and S. Komaba
    Angew. Chem. Int. Ed., 60,5114-5120 (2021).
  6. Vanadium diphosphide as a negative electrode material for sodium secondary batteries
    S. Kaushik, K. Matsumoto, Y. Orikasa, M. Katayama, Y. Inada, Y. Sato, K. Gotoh, H. Ando, R. Hagiwara
    J. Power Sources, 483, 229182_1-10 (2021).


  1. Reaction Behavior of a Silicide Electrode with Lithium in an Ionic-Liquid Electrolyte
    Y. Domi, H. Usui, K. Sugimoto, K. Gotoh, K. Nishikawa, and H. Sakaguchi
    ACS Omega, 5, 22631-22636 (2020).
  2. Crystal structures of four isomeric hydrogen-bonded co-crystals of 6-methylquinoline with 2-chloro-4-nitrobenzoic acid, 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid and 4-chloro-2-nitrobenzoic acid
    K. Gotoh and H. Ishida
    Acta Cryst., E76, 1701-1707 (2020).
  3. Mechanisms for overcharging of carbon electrodes in lithium-ion/sodium-ion batteries analysed by operando solid-state NMR
    K. Gotoh, T. Yamakami, I. Nishimura, H. Kometani, H. Ando, K. Hashi, T. Shimizu, and H. Ishida
    J. Mater. Chem. A, 8, 14472-14481 (2020). (Journal of Materials Chemistry A HOT Papers)
  4. Accommodation of a Large Amount of Lithium Ions inSilsesquioxane-pillared Carbon: A Potential Anode of an All-solid-state Lithium Ion Battery
    Y. Matsuo, Y. Ogawa, T. Kai, A. Aoto, J. Inamoto and K. Gotoh
    Chem. Lett., 49, 757-759 (2020).
  5. Structural Analysis of Sucrose-Derived Hard Carbon and Correlation with the Electrochemical Properties for Lithium, Sodium, and Potassium Insertion
    K. Kubota, S. Shimadzu, N. Yabuuchi, S. Tominaka, S. Shiraishi, M. Abreu-Sepulveda, A. Manivannan, K. Gotoh, M. Fukunishi, M. Dahbi and S. Komaba
    Chem. Mater., 32, 2961-2977 (2020).
  6. Non-destructive, uniform, and scalable electrochemical functionalization and exfoliation of graphite
    B.D.L. Campéon, M. Akada, M.S. Ahmad, Y. Nishikawa, K. Gotoh and Y. Nishina
    Carbon, 158, 356-363 (2020).


  1. Negative dielectric constant of water confined in nanosheets
    A. Sugahara, Y. Ando, S. Kajiyama, K. Yazawa, K. Gotoh, M. Otani, M. Okubo and A. Yamada
    Nature Commun., 10, article number:850, (2019).
  2. Correlation of carbonization condition with metallic property of sodium clusters formed in hard carbon studied using 23Na nuclear magnetic resonance
    R. Morita, K. Gotoh, K. Kubota, S. Komaba, K. Hashi, T. Shimizu and H. Ishida
    Carbon, 145, 712-715 (2019).
  3. States of thermochemically or electrochemically synthesized NaxPy compounds analyzed by solid state 23Na and 31P nuclear magnetic resonance with theoretical calculation
    R. Morita, K. Gotoh, M. Dahbi, K. Kubota, S. Komaba, K. Tokiwa, S. Arabnejad, K. Yamashita, K. Deguchi, S. Ohki, T. Shimizu, R. Laskowski and H. Ishida
    J. Power. Sources, 413, 418-424 (2019).
  4. Crystal structure of 4-chloro-2-nitro­benzoic acid with 4-hy­droxy­quinoline: a disordered structure over two states of 4-chloro-2-nitro­benzoic acid–quinolin-4(1H)-one (1/1) and 4-hy­droxy­quinolinium 4-chloro-2-nitro­benzoate
    K. Gotoh and H. Ishida
    Acta Cryst., E75, 1853-1856 (2019).
  5. Crystal structures of the two isomeric hydrogen-bonded cocrystals 2-chloro-4-nitro­benzoic acid–5-nitro­quinoline (1/1) and 5-chloro-2-nitro­benzoic acid–5-nitro­quinoline (1/1)
    K. Gotoh and H. Ishida
    Acta Cryst., E75, 1694-1699 (2019).
  6. Crystal structures of 3-chloro-2-nitro-benzoic acid with quinoline derivatives: 3-chloro-2-nitro-benzoic acid-5-nitro-quinoline (1/1), 3-chloro-2-nitro-benzoic acid-6-nitro-quinoline (1/1) and 8-hy-droxy-quinolinium 3-chloro-2-nitro-benzoate.
    K. Gotoh and H. Ishida
    Acta Cryst., E75, 1552-1557 (2019).