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Naeem, M.*; Zhou, H.*; He, H.*; Harjo, S.; Kawasaki, Takuro; Lan, S.*; Wu, Z.*; Zhu, Y.*; Wang, X.-L.*
Applied Physics Letters, 119(13), p.131901_1 - 131901_7, 2021/09
-Orbital component in the Borromean nucleus 
BYang, Z. H.*; Kubota, Yuki*; Corsi, A.*; Yoshida, Kazuki; Sun, X.-X.*; Li, J. G.*; Kimura, Masaaki*; Michel, N.*; Ogata, Kazuyuki*; Yuan, C. X.*; et al.
Physical Review Letters, 126(8), p.082501_1 - 082501_8, 2021/02
Times Cited Count：10 Percentile：98.7(Physics, Multidisciplinary)A quasifree (
,
) experiment was performed to study the structure of the Borromean nucleus B, which had long been considered to have a neutron halo. By analyzing the momentum distributions and exclusive cross sections, we obtained the spectroscopic factors for 
and 
orbitals, and a surprisingly small percentage of 9(2)% was determined for . Our finding of such a small component and the halo features reported in prior experiments can be explained by the deformed relativistic Hartree-Bogoliubov theory in continuum, revealing a definite but not dominant neutron halo in B. The present work gives the smallest - or -orbital component among known nuclei exhibiting halo features and implies that the dominant occupation of or orbitals is not a prerequisite for the occurrence of a neutron halo.
Lai, W.-H.*; Wang, H.*; Zheng, L.*; Jiang, Q.*; Yan, Z.-C.*; Wang, L.*; Yoshikawa, Hirofumi*; Matsumura, Daiju; Sun, Q.*; Wang, Y.-X.*; et al.
Angewandte Chemie; International Edition, 59(49), p.22171 - 22178, 2020/12
Times Cited Count：16 Percentile：89.25(Chemistry, Multidisciplinary)
decay of 
USun, M. D.*; Liu, Z.*; Huang, T. H.*; Zhang, W. Q.*; Andreyev, A. N.; Ding, B.*; Wang, J. G.*; Liu, X. Y.*; Lu, H. Y.*; Hou, D. S.*; et al.
Physics Letters B, 800, p.135096_1 - 135096_5, 2020/01
Times Cited Count：6 Percentile：89.19(Astronomy & Astrophysics)Qiu, Z.*; Hou, D.*; Barker, J.*; Yamamoto, Kei; Gomonay, O.*; Saito, Eiji*
Nature Materials, 17(7), p.577 - 580, 2018/05
Times Cited Count：71 Percentile：96.98(Chemistry, Physical)Colossal magnetoresistance (CMR) refers to a large change in electrical conductivity induced by a magnetic field in the vicinity of a metal-insulator transition. CMR occurs due to a correlation between the magnetic structure and electron conduction and has inspired extensive studies for decades. Here, in the antiferromagnetic insulator Cr
O
, we found a sharp transition between conducting and nonconducting states for spin currents at room temperature. The spin-current transmission changes by two orders of magnitude within a narrow temperature window of 14K around the Neel temperature. The spin conductor-nonconductor transition can be modulated by a magnetic field, giving an isothermal change of spin-current transmission of up to 500%, effectively an on-off switch for spin currents.
Wang, H.*; Hou, D.*; Qiu, Z.*; Kikkawa, Takashi*; Saito, Eiji; Jin, X.*
Journal of Applied Physics, 122(8), p.083907_1 - 083907_6, 2017/08
Times Cited Count：2 Percentile：14.14(Physics, Applied)Hioki, Tomosato*; Iguchi, Ryo*; Qiu, Z.*; Hou, D.*; Uchida, Kenichi*; Saito, Eiji
Applied Physics Express, 10(7), p.073002_1 - 073002_4, 2017/06
Times Cited Count：9 Percentile：53.89(Physics, Applied)Hou, D.*; Qiu, Z.*; Barker, J.*; Sato, Koji*; Yamamoto, Kei; V
lez, S.*; Gomez-Perez, J. M.*; Hueso, L. E.*; Casanova, F.*; Saito, Eiji
Physical Review Letters, 118(14), p.147202_1 - 147202_6, 2017/04
Times Cited Count：85 Percentile：98(Physics, Multidisciplinary)Qiu, Z.*; Li, J.*; Hou, D.*; Arenholz, E.*; N'Diaye, A. T.*; Tan, A.*; Uchida, Kenichi*; Sato, Koji*; Okamoto, Satoshi*; Tserkovnyak, Y.*; et al.
Nature Communications (Internet), 7, p.12670_1 - 12670_6, 2016/08
Times Cited Count：107 Percentile：97.44(Multidisciplinary Sciences)Hou, D.*; Qiu, Z.*; Iguchi, Ryo*; Sato, Koji*; Vehstedt, E. K.*; Uchida, Kenichi*; Bauer, G. E. W.*; Saito, Eiji
Nature Communications (Internet), 7, p.12265_1 - 12265_6, 2016/07
Times Cited Count：10 Percentile：65.26(Multidisciplinary Sciences)Qiu, Z.*; Hou, D.*; Kikkawa, Takashi*; Uchida, Kenichi*; Saito, Eiji
Applied Physics Express, 8(8), p.083001_1 - 083001_3, 2015/08
Times Cited Count：23 Percentile：74.03(Physics, Applied)Ikeda, Takashi; Hou, Z.*; Chai, G.-L.*; Terakura, Kiyoyuki*
Hyomen Kagaku, 36(7), p.345 - 350, 2015/07
Carbon alloy catalysts (CACs) are one of promising candidates for platinum-substitute cathode catalysts for polymer electrolyte fuel cells. We have investigated possible mechanisms of oxygen reduction reactions (ORRs) for CACs via first-principles-based molecular dynamics simulations. In this contribution, we review possible ORRs at likely catalytic sites of CACs suggested from our simulations.
Fe
O
as the origin of low-magnetic-field behavior of the spin Seebeck effectUchida, Kenichi*; Oe, Junichiro*; Kikkawa, Takashi*; Daimon, Shunsuke*; Hou, D.*; Qiu, Z.*; Saito, Eiji
Physical Review B, 92(1), p.014415_1 - 014415_8, 2015/07
Times Cited Count：26 Percentile：77.37(Materials Science, Multidisciplinary)
-(BEDT-TTF)Cu[N(CN)]BrQiu, Z.*; Uruichi, Mikio*; Hou, D.*; Uchida, Kenichi*; Yamamoto, Hiroshi*; Saito, Eiji
AIP Advances (Internet), 5(5), p.057167_1 - 057167_7, 2015/05
Times Cited Count：14 Percentile：59.87(Nanoscience & Nanotechnology)Qiu, Z.*; Hou, D.*; Uchida, Kenichi*; Saito, Eiji
Journal of Physics D; Applied Physics, 48(16), p.164013_1 - 164013_5, 2015/04
Times Cited Count：35 Percentile：84.67(Physics, Applied)Chai, G.-L.*; Hou, Z.*; Shu, D.-J.*; Ikeda, Takashi; Terakura, Kiyoyuki*
Journal of the American Chemical Society, 136(39), p.13629 - 13640, 2014/10
Times Cited Count：198 Percentile：97.69(Chemistry, Multidisciplinary)Carbon alloy catalysts (CACs) are promising catalysts for oxygen reduction reaction (ORR) to substitute Pt. However, despite extensive studies on CACs the reaction sites and mechanisms for ORR are still in controversy. Herein, we present rather general consideration on possible ORR mechanisms for various structures in nitrogen doped CACs based on the first principles calculations. Our study indicates that only a particular structure of a nitrogen pair doped Stone-Wales defect provides a good active site. The ORR activity of this structure can be tuned by the curvature around the active site, which makes its limiting potential approaching the maximum limiting potential (0.80 V) in the volcano plot for the ORR activity of CACs. The calculated results can be compared with the recent experimental ones of the half wave potential for CAC systems that range from 0.60 V to 0.80 V in the reversible-hydrogen-electrode scale.
Ikeda, Takashi; Hou, Z.*; Chai, G.-L.*; Terakura, Kiyoyuki*
Journal of Physical Chemistry C, 118(31), p.17616 - 17625, 2014/08
Times Cited Count：41 Percentile：81.59(Chemistry, Physical)N-doped carbon-based nanomaterials are attracting a great interest as promising Pt-free electrode catalysts for polymer electrolyte fuel cells (PEFCs). In this computational study, we demonstrate that N-doped graphene edges can exhibit enhanced catalytic activity toward oxygen reduction reactions by controlling their electron-donating and -withdrawing abilities, and basicity, resulting in higher selectivity of 4e
reduction via inner and outer sphere electron transfer at edges in acidic conditions, respectively. Our simulations also show that 2e reduction occurs selectively in the presence of pyridinic N next to carbonyl O at zigzag edges. This study thus rationalizes the roles of doped N in graphenelike materials for oxygen reduction reactions.
Hou, Z.*; Shu, D.-J.*; Chai, G.-L.*; Ikeda, Takashi; Terakura, Kiyoyuki*
Journal of Physical Chemistry C, 118(34), p.19795 - 19805, 2014/08
Times Cited Count：10 Percentile：38.87(Chemistry, Physical)In most of the N-doped graphene which attracts strong attention in the context of precious-metal free catalysts and nanoelectronics, the oxygen content is generally higher than or at least comparable to the nitrogen content. We perform density functional theory calculations to study the interplay of oxidized monovacancies and the nitrogen doping, motivated by the fact that MV is more frequently observed and more chemically active than divacancy and Stone-Wales defect. We determine the phase diagrams of un-doped and nitrogen-doped oxidized MVs as a function of temperature and partial pressure of O and H gases. The modification of the electronic structure of MV by oxidation and N doping is studied. Our results show that the ether group is a common component in stable configurations of oxidized MVs. Most of the stable configurations of oxidized MVs do not induce any carriers.
N-bearing grapheneWang, X.*; Hou, Z.*; Ikeda, Takashi; Terakura, Kiyoyuki*
Journal of Physical Chemistry C, 118(25), p.13929 - 13935, 2014/06
Times Cited Count：8 Percentile：32.69(Chemistry, Physical)The NMR chemical shifts of possible N-containing moieties at edges and defects of graphene are investigated by using the first-principles method. Our computations show that pyridine-like and graphite-like N are rather easily identifiable using N NMR technique, in agreement with experiment. On the other hand, pyridinium-like N is hardly distinguished from pyrrole-like one because these N nuclei give nearly overlapping signals. However, our simulations suggest that 
H NMR is useful to discriminate between them; The NMR chemical shift of H directly bonded with pyridinium-like and pyrrole-like N is estimated as 0.8 and 10.8 ppm, respectively. The N NMR signals for various moieties at edges we considered are found to be similar to the corresponding ones at defects except for pyridine-like nitrogens. Conversely, the N NMR chemical shifts are altered sensitively by the degree of aggregation of pyridine-like N atoms both along armchair edges and at defect sites.
Kikkawa, Takashi*; Uchida, Kenichi*; Daimon, Shunsuke*; Shiomi, Yuki*; Adachi, Hiroto; Qiu, Z.*; Hou, D.*; Jin, X.-F.*; Maekawa, Sadamichi; Saito, Eiji
Physical Review B, 88(21), p.214403_1 - 214403_11, 2013/12
Times Cited Count：103 Percentile：96.28(Materials Science, Multidisciplinary)