Lithium diffusion in graphitic carbon K Persson, VA Sethuraman, LJ Hardwick, Y Hinuma, YS Meng, ...
The journal of physical chemistry letters 1 (8), 1176-1180, 2010
817 2010 Band structure diagram paths based on crystallography Y Hinuma, G Pizzi, Y Kumagai, F Oba, I Tanaka
Computational Materials Science 128, 140-184, 2017
602 2017 Thermodynamic and kinetic properties of the Li-graphite system from first-principles calculations K Persson, Y Hinuma, YS Meng, A Van der Ven, G Ceder
Physical Review B 82 (12), 125416, 2010
430 2010 Band alignment of semiconductors from density-functional theory and many-body perturbation theory Y Hinuma, A Grüneis, G Kresse, F Oba
Physical Review B 90 (15), 155405, 2014
324 2014 Effect of High Voltage on the Structure and Electrochemistry of LiNi0.5 Mn0.5 O2 : A Joint Experimental and Theoretical Study J Bréger, YS Meng, Y Hinuma, S Kumar, K Kang, Y Shao-Horn, G Ceder, ...
Chemistry of Materials 18 (20), 4768-4781, 2006
269 2006 Discovery of earth-abundant nitride semiconductors by computational screening and high-pressure synthesis Y Hinuma, T Hatakeyama, Y Kumagai, LA Burton, H Sato, Y Muraba, ...
Nature communications 7 (1), 11962, 2016
250 2016 Ionization potentials of solids: the importance of vertex corrections A Grüneis, G Kresse, Y Hinuma, F Oba
Physical review letters 112 (9), 096401, 2014
227 2014 Phase Transitions in the LiNi0.5 Mn0.5 O2 System with Temperature Y Hinuma, YS Meng, K Kang, G Ceder
Chemistry of Materials 19 (7), 1790-1800, 2007
199 2007 Pure H–conduction in oxyhydrides G Kobayashi, Y Hinuma, S Matsuoka, A Watanabe, M Iqbal, M Hirayama, ...
Science 351 (6279), 1314-1317, 2016
194 2016 Temperature-concentration phase diagram of from first-principles calculations Y Hinuma, YS Meng, G Ceder
Physical Review B 77 (22), 224111, 2008
149 2008 An investigation of the sodium patterning in NaxCoO2 (0.5⩽ x⩽ 1) by density functional theory methods YS Meng, Y Hinuma, G Ceder
The Journal of chemical physics 128 (10), 2008
130 2008 Density functional theory calculations of oxygen vacancy formation and subsequent molecular adsorption on oxide surfaces Y Hinuma, T Toyao, T Kamachi, Z Maeno, S Takakusagi, S Furukawa, ...
The Journal of Physical Chemistry C 122 (51), 29435-29444, 2018
125 2018 Electronic spin transition in nanosize stoichiometric lithium cobalt oxide D Qian, Y Hinuma, H Chen, LS Du, KJ Carroll, G Ceder, CP Grey, ...
Journal of the American Chemical Society 134 (14), 6096-6099, 2012
118 2012 Comparison of approximations in density functional theory calculations: Energetics and structure of binary oxides Y Hinuma, H Hayashi, Y Kumagai, I Tanaka, F Oba
Physical Review B 96 (9), 094102, 2017
103 2017 First-Principles Study on Relaxor-Type Ferroelectric Behavior without Chemical Inhomogeneity in BaTaO2 N and SrTaO2 N Y Hinuma, H Moriwake, YR Zhang, T Motohashi, S Kikkawa, I Tanaka
Chemistry of Materials 24 (22), 4343-4349, 2012
85 2012 Ionization potentials of (112) and (11 ) facet surfaces of CuInSe and CuGaSe Y Hinuma, F Oba, Y Kumagai, I Tanaka
Physical Review B 86 (24), 245433, 2012
78 2012 Band alignment of semiconductors and insulators using dielectric-dependent hybrid functionals: Toward high-throughput evaluation Y Hinuma, Y Kumagai, I Tanaka, F Oba
Physical Review B 95 (7), 075302, 2017
73 2017 Large-angle illumination STEM: toward three-dimensional atom-by-atom imaging R Ishikawa, AR Lupini, Y Hinuma, SJ Pennycook
Ultramicroscopy 151, 122-129, 2015
64 2015 HOMO-band fine structure of OTi- and Pb-phthalocyanine ultrathin films: effects of the electric dipole layer H. Yamane, H. Honda, H. Fukagawa, M. Ohyama, Y. Hinuma, S. Kera, K.K ...
Journal of Electron Spectroscopy and Related Phenomena 137, 223-227, 2004
62 2004 Band offsets of CuInSe /CdS and CuInSe /ZnS (110) interfaces: A hybrid density functional theory study Y Hinuma, F Oba, Y Kumagai, I Tanaka
Physical Review B 88 (3), 035305, 2013
57 2013