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Kazuaki Toyoura
Kazuaki Toyoura
Verified email at kyoto-u.ac.jp
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Year
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 78 (21), 214303, 2008
2472008
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
1392014
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
1282010
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
992005
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
782015
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
752010
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
692016
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
522012
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
512012
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
492015
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
452018
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
442013
First-principles analysis of oxide-ion conduction mechanism in lanthanum silicate
K Matsunaga, K Toyoura
Journal of Materials Chemistry 22 (15), 7265-7273, 2012
382012
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
342015
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
332019
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
332018
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
312021
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
302014
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
252018
Dislocation structures and electrical conduction properties of low angle tilt grain boundaries in LiNbO3
Y Furushima, A Nakamura, E Tochigi, Y Ikuhara, K Toyoura, K Matsunaga
Journal of Applied Physics 120 (14), 2016
252016
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