| First-principles approach to chemical diffusion of lithium atoms in a graphite intercalation compound K Toyoura, Y Koyama, A Kuwabara, F Oba, I Tanaka Physical Review B—Condensed Matter and Materials Physics 78 (21), 214303, 2008 | 272 | 2008 |
| Direct Imaging of Pt Single Atoms Adsorbed on TiO2 (110) Surfaces TY Chang, Y Tanaka, R Ishikawa, K Toyoura, K Matsunaga, Y Ikuhara, ... Nano letters 14 (1), 134-138, 2014 | 152 | 2014 |
| Effects of Off-Stoichiometry of LiC6 on the Lithium Diffusion Mechanism and Diffusivity by First Principles Calculations K Toyoura, Y Koyama, A Kuwabara, I Tanaka The Journal of Physical Chemistry C 114 (5), 2375-2379, 2010 | 137 | 2010 |
| Optical properties of zinc nitride formed by molten salt electrochemical process K Toyoura, H Tsujimura, T Goto, K Hachiya, R Hagiwara, Y Ito Thin Solid Films 492 (1-2), 88-92, 2005 | 101 | 2005 |
| First-principles calculations of divalent substitution of Ca2+ in tricalcium phosphates K Matsunaga, T Kubota, K Toyoura, A Nakamura Acta Biomaterialia 23, 329-337, 2015 | 83 | 2015 |
| Proton mobility through a second order phase transition: theoretical and experimental study of LaNbO 4 H Fjeld, K Toyoura, R Haugsrud, T Norby Physical Chemistry Chemical Physics 12 (35), 10313-10319, 2010 | 80 | 2010 |
| Machine-learning-based selective sampling procedure for identifying the low-energy region in a potential energy surface: A case study on proton conduction in oxides K Toyoura, D Hirano, A Seko, M Shiga, A Kuwabara, M Karasuyama, ... Physical Review B 93 (5), 054112, 2016 | 74 | 2016 |
| Proton-conducting network in lanthanum orthophosphate K Toyoura, N Hatada, Y Nose, I Tanaka, K Matsunaga, T Uda The Journal of Physical Chemistry C 116 (36), 19117-19124, 2012 | 55 | 2012 |
| Defect chemistry of a BaZrO 3 Σ3 (111) grain boundary by first principles calculations and space–charge theory JM Polfus, K Toyoura, F Oba, I Tanaka, R Haugsrud Physical Chemistry Chemical Physics 14 (35), 12339-12346, 2012 | 55 | 2012 |
| First-principles study on phase transition and ferroelectricity in lithium niobate and tantalate K Toyoura, M Ohta, A Nakamura, K Matsunaga Journal of Applied Physics 118 (6), 2015 | 54 | 2015 |
| Preferential proton conduction along a three-dimensional dopant network in yttrium-doped barium zirconate: a first-principles study K Toyoura, W Meng, D Han, T Uda Journal of Materials Chemistry A 6 (45), 22721-22730, 2018 | 50 | 2018 |
| Atomic sites and stability of Cs+ captured within zeolitic nanocavities K Yoshida, K Toyoura, K Matsunaga, A Nakahira, H Kurata, YH Ikuhara, ... Scientific reports 3 (1), 2457, 2013 | 47 | 2013 |
| First-principles analysis of proton conduction mechanism in pyrochlore-structured lanthanum zirconate K Toyoura, A Nakamura, K Matsunaga The Journal of Physical Chemistry C 119 (16), 8480-8487, 2015 | 41 | 2015 |
| First-principles analysis of oxide-ion conduction mechanism in lanthanum silicate K Matsunaga, K Toyoura Journal of Materials Chemistry 22 (15), 7265-7273, 2012 | 38 | 2012 |
| Carrier–carrier interaction in proton-conducting perovskites: carrier blocking vs trap-site filling K Toyoura, T Fujii, N Hatada, D Han, T Uda The Journal of Physical Chemistry C 123 (44), 26823-26830, 2019 | 36 | 2019 |
| Protonated BaZr0.8Y0.2O3−δ: Impact of Hydration on Electrochemical Conductivity and Local Crystal Structure D Han, K Toyoura, T Uda ACS Applied Energy Materials 4 (2), 1666-1676, 2021 | 35 | 2021 |
| Exploring a potential energy surface by machine learning for characterizing atomic transport K Kanamori, K Toyoura, J Honda, K Hattori, A Seko, M Karasuyama, ... Physical Review B 97 (12), 125124, 2018 | 34 | 2018 |
| Protonic Conduction in La2NiO4+δ and La2‐xAxNiO4+δ (A = Ca, Sr, Ba) Ruddlesden–Popper Type Oxides P Zhong, K Toyoura, L Jiang, L Chen, SA Ismail, N Hatada, T Norby, ... Advanced Energy Materials 12 (22), 2200392, 2022 | 32 | 2022 |
| The effect of chemical potential on the thermodynamic stability of carbonate ions in hydroxyapatite T Kubota, A Nakamura, K Toyoura, K Matsunaga Acta Biomaterialia 10 (8), 3716-3722, 2014 | 31 | 2014 |
| Oxide-ion conduction via interstitials in scheelite-type LaNbO 4: a first-principles study K Toyoura, Y Sakakibara, T Yokoi, A Nakamura, K Matsunaga Journal of Materials Chemistry A 6 (25), 12004-12011, 2018 | 29 | 2018 |
