Structures and energetics of Ga2O3 polymorphs S Yoshioka, H Hayashi, A Kuwabara, F Oba, K Matsunaga, I Tanaka
Journal of Physics: Condensed Matter 19 (34), 346211, 2007
427 2007 Debye temperature and stiffness of carbon and boron nitride polymorphs from first principles calculations T Tohei, A Kuwabara, F Oba, I Tanaka
Physical Review B—Condensed Matter and Materials Physics 73 (6), 064304, 2006
326 2006 Why is sodium-intercalated graphite unstable? H Moriwake, A Kuwabara, CAJ Fisher, Y Ikuhara
RSC advances 7 (58), 36550-36554, 2017
285 2017 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 Accelerated materials design of lithium superionic conductors based on first-principles calculations and machine learning algorithms K Fujimura, A Seko, Y Koyama, A Kuwabara, I Kishida, K Shitara, ...
Advanced Energy Materials 3 (8), 980-985, 2013
258 2013 First‐Principles Calculations of Lithium‐Ion Migration at a Coherent Grain Boundary in a Cathode Material, LiCoO2 H Moriwake, A Kuwabara, CAJ Fisher, R Huang, T Hitosugi, YH Ikuhara, ...
Advanced Materials 25 (4), 618-622, 2013
191 2013 Oxygen‐vacancy ordering at surfaces of lithium manganese (III, IV) oxide spinel nanoparticles R Huang, YH Ikuhara, T Mizoguchi, SD Findlay, A Kuwabara, CAJ Fisher, ...
Angewandte Chemie International Edition 13 (50), 3053-3057, 2011
166 2011 First-principles study of vacancy formation in hydroxyapatite K Matsunaga, A Kuwabara
Physical Review B—Condensed Matter and Materials Physics 75 (1), 014102, 2007
161 2007 Ab initio lattice dynamics and phase transformations of A Kuwabara, T Tohei, T Yamamoto, I Tanaka
Physical Review B—Condensed Matter and Materials Physics 71 (6), 064301, 2005
155 2005 Prediction of ground-state structures and order-disorder phase transitions in II-III spinel oxides: A combined cluster-expansion method and first-principles study A Seko, K Yuge, F Oba, A Kuwabara, I Tanaka
Physical Review B—Condensed Matter and Materials Physics 73 (18), 184117, 2006
141 2006 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 Crystalline grain interior configuration affects lithium migration kinetics in Li-rich layered oxide H Yu, YG So, A Kuwabara, E Tochigi, N Shibata, T Kudo, H Zhou, ...
Nano letters 16 (5), 2907-2915, 2016
135 2016 Pressure-induced phase transition in ZnO and A Seko, F Oba, A Kuwabara, I Tanaka
Physical Review B—Condensed Matter and Materials Physics 72 (2), 024107, 2005
125 2005 On the structural origin of the catalytic properties of inherently strained ultrasmall decahedral gold nanoparticles MJ Walsh, K Yoshida, A Kuwabara, ML Pay, PL Gai, ED Boyes
Nano letters 12 (4), 2027-2031, 2012
122 2012 Lithium atom and A-site vacancy distributions in lanthanum lithium titanate X Gao, CAJ Fisher, T Kimura, YH Ikuhara, H Moriwake, A Kuwabara, ...
Chemistry of Materials 25 (9), 1607-1614, 2013
120 2013 Lattice dynamics and thermodynamical properties of silicon nitride polymorphs A Kuwabara, K Matsunaga, I Tanaka
Physical Review B—Condensed Matter and Materials Physics 78 (6), 064104, 2008
119 2008 Dislocation-enhanced ionic conductivity of yttria-stabilized zirconia K Otsuka, A Kuwabara, A Nakamura, T Yamamoto, K Matsunaga, ...
Applied Physics Letters 82 (6), 877-879, 2003
99 2003 Cubic and orthorhombic structures of aluminum hydride X Ke, A Kuwabara, I Tanaka
Physical Review B—Condensed Matter and Materials Physics 71 (18), 184107, 2005
95 2005 Domain boundaries and their influence on Li migration in solid-state electrolyte (La, Li) TiO3 H Moriwake, X Gao, A Kuwabara, CAJ Fisher, T Kimura, YH Ikuhara, ...
Journal of Power Sources 276, 203-207, 2015
94 2015 Chemical Expansion and Change in Lattice Constant of Y‐Doped BaZrO3 by Hydration/Dehydration Reaction and Final Heat‐Treating Temperature C Hiraiwa, D Han, A Kuramitsu, A Kuwabara, H Takeuchi, M Majima, ...
Journal of the American Ceramic Society 96 (3), 879-884, 2013
88 2013 
Craig Andrew James FisherJapan Fine Ceramics CenterAdresse e-mail validée de jfcc.or.jp