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Micro/macroscopic and density functional studies of the interactions between Molybdenum Trioxide and C60molecule 査読有り

M. Nakaya, T. Kawai, S. Watanabe, J. Onoe

J. Chem. Phys. 158 巻頁： 054701/1 - 054701/7 2023年2月

Kinetic study of photopolymerization and depolymerization in C60 films using in situ Fourier-transform infrared spectroscopy for development of C60-based thermoelectric materials 招待有り査読有り

Tatsuma Izumi, Masato Nakaya, Jun Onoe

Chemical Physics Letters 801 巻頁： 139744/1 - 139744/6 2022年6月

Unraveling the reasons behind lead phthalocyanine acting as a good absorber for near‑infrared sensitive devices 査読有り

Masahiro Kato, Hayato Yoshizawa, Masato Nakaya, Yasutaka Kitagawa, Koichi Okamoto, Tomoaki Yamada, Masahito Yoshino, Kentaro Tanaka, Jun Onoe

Scientific Reports 12 巻頁： 8810/1 - 8810/12 2022年5月

The uptake characteristics of Prussian-blue nanoparticles for rare metal ions for recycling of precious metals from nuclear and electronic wastes 査読有り

Shinta Watanabe, Yusuke Inaba, Miki Harigai, Kenji Takeshita, and Jun Onoe

Scientific Reports 12 巻頁： 5135/1 - 5135/10 2022年3月

Thermally Stable Array of Discrete C60s on a Two-Dimensional Crystalline Adlayer of Macrocycles both in Vacuo and under Ambient Pressure 査読有り

Shin-ichiro Kawano, Masato Nakaya, Masaaki Saitow, Atsuki Ishiguro, Takeshi Yanai, Jun Onoe, and Kentaro Tanaka

J. Am. Chem. Soc. 144 巻 ( 15 ) 頁： 6749 - 6758 2022年3月

Photopolymerization effects on the external quantum efficiency of fullerene/zinc phthalocyanine heterojunction solar cells 査読有り

Masahiro Kato, Masato Nakaya, Shinta Watanabe, Koichi Okamoto, and Jun Onoe

AIP Advances 11 巻頁： 075227/1 - 075227/6 2021年7月

Resolving Site-Specific Energy Levels of Small-Molecule Donor-Acceptor Heterostructures Close to Metal Contacts 査読有り国際共著

Amani Benhnia, Shinta Watanabe, Rouzhaji Tuerhong, Masato Nakaya, Jun Onoe and Jean-Pierre Bucher

Nanomaterials 11 巻頁： 1618/1 - 1618/10 2021年6月

The uptake mechanism of palladium ions into Prussian-blue nanoparticles in a nitric acid solution toward application for the recycling of precious metals from electronic and nuclear wastes 査読有り

Jun Onoe, Shinta Watanabe, Hideki Masuda, Yusuke Inaba, Miki Harigai, and Kenji Takeshitac

RSC Advances 11 巻頁： 20701 - 20707 2021年6月

Theoretical prediction on the immiscible Pb-Sn alloy stabilized on metal surfaces 査読有り

Shota Ono, Junji Yuhara, Jun Onoe

Chemical Physics Letters 776 巻頁： 138696/1 - 138696/5 2021年4月

Morphological and optical properties of alpha- and beta-phase zinc (II) phthalocyanine thin films for application to organic photovoltaic cells 査読有り

Masahiro Kato, Masato Nakaya, Yuki Matoba, Shinta Watanabe, Koichi Okamoto, Jean-Pierre Bucher, and Jun Onoe

The Journal of Chemical Physics 153 巻頁： 144704 2020年10月

担当区分：筆頭著者記述言語：英語掲載種別：研究論文（学術雑誌）

We have investigated the morphological and optical properties of α- and β-phase Zinc Phthalocyanine (ZnPc) thin films for application to organic photovoltaic cells (OPVs). It was found that the α-phase is completely converted to the β-phase by thermal annealing at 220 °C under ultrahigh vacuum conditions. When the α- to β-phase transition takes place, the surface roughness of the ZnPc film became flat uniformly with a nanometer order of unevenness by anisotropic growth of crystalline grains along a lateral direction to substrates. Correspondingly, the optical absorbance of the β-phase film became greater by 1.5–2 times than that of the α-phase one in an ultraviolet–visible–near infrared (UV–vis–NIR) wavelength range, which plays a role in increasing the number of photogenerated excitons. On the contrary, time-resolved photoluminescence measurements showed that the average lifetime of excitons for the β-phase film became shorter by 1/6–1/7 than that for the α-phase one, which plays a role in decreasing the number of excitons achieving the donor/acceptor interface where excitons are separated to carriers (holes and electrons). Both the increase in the number and the shortening in the average lifetime have a trade-off relationship with each other for contribution to the photoelectric conversion efficiency of OPVs. Then, we examined an external quantum efficiency (EQE) of OPVs using the α- and β-phase films as a donor and obtained that the former OPV (α-phase) exhibits a higher EQE by ∼2 times than the latter one (β-phase) in the wavelength range of 400 nm–800 nm.

DOI： 10.1063/5.0022262

Immobilization of CO2 at room temperature using the specific sub-nm space of one-dimensional uneven-structured C60 polymer film 査読有り

Masato Nakaya, Yasutaka Kitagawa, Shinta Watanabe, Rena Teramoto, Iori Era, Masayoshi Nakano, and Jun Onoe

Advanced Sustainable Systems 5 巻頁： 2000156 - 2000156 2020年10月

担当区分：責任著者記述言語：英語掲載種別：研究論文（学術雑誌）

Immobilization and reuse of CO2 are urgent tasks for sustaining our global environment. Here we demonstrate that CO2 can be immobilized by reaction with H2O at room temperature (RT) in the specific sub-nm space of one-dimensional uneven-structured C60 polymer (1D polymer) film, even though the reaction does not occur at RT in the gas phase (activation energy: ca. 2 eV). First-principles calculations revealed that the CO2 molecule is stacked as a bridge between the concave portions of adjacent 1D polymer frameworks via locally induced Coulomb interactions. Such induced charge polarization activates CO2 both by weakening its double-bond nature and by lowering its lowest unoccupied molecular orbital (LUMO) energy due to the bending motion. In addition, the flexible pai-orbitals of the 1D polymer provide the optimal Coulomb field to stabilize the transition state (TS) of the CO2 + H2O reaction remarkably. These factors work together to make the reaction possible at RT via no or negligible TSs.

DOI： 10.1002/adsu.202000156

Electron-beam-irradiation of photopolymerised C60 film studied using in situ scanning tunneling microscope, in situ Fourier-transform infrared spectroscopy, and first-principles calculations 査読有り

Jun Onoe, Masato Nakaya, Shinta Watanabe, Tomonobu Nakayama, Kaoru Ohno, and Yusuke Noda

AIP Advances 10 巻 ( 8 ) 頁： 085212 2020年8月

担当区分：筆頭著者記述言語：英語掲載種別：研究論文（学術雑誌）

We have examined the formation of a two-dimensional (2D) new carbon network by inducing the general Stone–Wales transformation between adjacent C60 molecules in a 2D dumbbell-type C60 polymer film. Structural changes in pristine C60 films after ultraviolet-visible (UV-vis) light and electron-beam (EB) irradiations were studied using in situ scanning tunneling microscope (STM) and in situ Fourier- transformed infrared (IR) spectroscopy, in combination with first-principles calculations based on density functional theory. Analyses of STM images and depth profiles found that three types of photopolymerized dumbbell-shaped dimers and trimers are formed on the surface layers of pristine C60 films: (i) [2+2] C60 dimers formed in a lateral direction, (ii) [2+2] dimerization of C60 between the first and second layers, and (iii) a triangular [2+2] C60 trimer along a lateral direction. As UV-vis light irradiation time increases, a comparison between experimental and theoretical IR spectra indicated that 2D dumbbell-shaped C60 polymers are formed within a few surface layers of the C60 film (in a similar manner, a 1D dumbbell-shaped polymer is also formed in a shallow space of the C60 film), whereas a [2+2] dumbbell-shaped dimer is formed in any bulk space of the film. Thereafter, when the EB was irradiated to the photopolymerized C60 film, the evolution of IR spectra with respect to EB irradiation time suggested that the 2D dumbbell-type C60 polymer is not decomposed but structurally changed to form a new network polymer.

DOI： 10.1063/5.0018985

Chemical forms of rhodium ion in pure water and nitric acid solution studied using ultraviolet-visible spectroscopy and first-principles calculations 査読有り

Shinta Watanabe, Toshikazu Sato, Miki Harigai, Yusuke Inaba, Kenji Takeshita, Jun Onoe

IOP Conf. Series: Materials Science and Engineering 835 巻頁： 012001 2020年5月

担当区分：筆頭著者記述言語：英語掲載種別：研究論文（学術雑誌）

We have investigated chemical forms of rhodium (Rh) ion in nitric acid solution by using spectroscopic and first-principles methods, in order to develop the disposal of high-level radioactive nuclear liquid wastes (HLLW). The electronic structure of Rh complexes in both pure water and nitric acid solutions was investigated using ultraviolet-visible (UV-vis) absorption spectroscopy. Comparison with many-electron calculations indicates that Rh ion forms an octahedral bidentate complex coordinated with three nitrate ions, [Rh(NO3)3], in both pure water and nitric acid solutions. This is consistent with thermodynamic prediction. Since the overall feature of UV-vis spectra of the Rh complex remained unchanged in a range of 0–3 M nitric acid solutions, the structure of the Rh complex was found to be stable in the range. In addition, since no significant changes in UV-vis spectra of Rh complex were observed under γ- ray radiation, the Rh complex, [Rh(NO3)3], can be expected to be stable in actual HLLW.

DOI： 10.1088/1757-899X/835/1/012001

Sorption Properties of Aluminum Hexacyanoferrate for Platinum Group Elements 査読有り

Ria Mishima, Yusuke Inaba, Sotaro Tachioka, Miki Harigai, Shinta Watanabe, Jun Onoe, Masahiko Nakase, Tatsuro Matsumura, and Kenji Takeshita

Chemistry Letters 49 巻頁： 83-86 2020年1月

記述言語：英語掲載種別：研究論文（学術雑誌）

A sorbent, Aluminum hexacyanoferrate (AlHCF), has been
developed for separating platinum group elements (PGMs) such
as Pd, Ru, and Rh in high-level liquid waste generated from
spent nuclear fuel reprocessing. The general sorption behavior of
PGMs to AlHCF was measured. Without metal ions, substantial
elution of AlHCF by nitric acid was observed. The single PGM
sorption test revealed that Pd had fast kinetics and sorbed well to
AlHCF, but the slow kinetics of Rh resulted in total dissolution
of the sorbent. However, the reconstruction of the sorbent structure
including Al and Fe, was observed. A competitive sorption
experiment revealed that the coexistence of Pd stabilized the
structure against nitric acid, and the percent sorption of Rh
increased with the Pd concentration. Understanding the sorption
and dissolution behavior of AlHCF will help improve its
performance as a PGM sorbent.

DOI： 10.1246/cl.190741

Low thermal conductivity of peanut-shaped carbon nanotube and its insensitive response to uniaxial strain 査読有り

J. Sun, K. Yuan, W. Zhou, X. Zhang, J. Onoe, Y. Kawazoe, and Q. Wang

Nanotechnology 31 巻 ( 11 ) 頁： 115701 2020年

Control of electric, optical, thermal properties of C60 films by electronbeam irradiation 査読有り

Masato Nakaya, Shinta Watanabe, Jun Onoe

Carbon 152 巻頁： 882-887 2019年7月

担当区分：筆頭著者記述言語：英語掲載種別：研究論文（学術雑誌）

We have examined the electric, optical, and thermal properties of C60 films before and after electronbeam (EB: an incident energy of 3 keV) irradiation by inducing a variety of cross-linked structures between
adjacent C60 molecules via the general Stone-Wales transformation, and demonstrated that those properties can be controlled by EB irradiation time: the resistivity r is continuously changed by 106
times and optical absorbance of C60 film increases in a range of 350 850 nm when compared to that of pristine C60 film, and the heat-resistance becomes higher that is comparable to that of polyimide film
commercially available as the highest heat-resistance organic material.

DOI： 10.1016/j.carbon.2019.06.089

N-doped peanut-shaped carbon nanotubes for efficient CO2 electrocatalytic reduction 査読有り

W. Zhou, H. Shen, J. Onoe, Y. Kawazoe, P. Jena, and Q. Wang

Carbon 152 巻頁： 241-246 2019年6月

Chemical forms of molybdenum ion in nitric acid solution studied using liquid-phase X-ray absorption fine structure, Ultraviolet-Visible absorption spectroscopy and first-principles calculations

Watanabe Shinta, Sato Toshikazu, Nakaya Masato, Yoshida Tomoko, Onoe Jun

CHEMICAL PHYSICS LETTERS 723 巻頁： 76-81 2019年5月

Chemical forms of molybdenum ion in nitric acid solution studied using liquid-phase X-ray absorption fine structure, Ultraviolet Visible absorption spectroscopy and first principles calculations 査読有り

Shinta Watanabe, Toshikazu Sato, Masato Nakaya, Tomoko Yoshida, Jun Onoe

Chemical Physics Letters 723 巻頁： 76-81 2019年

Improvement of External Quantum Efficiency of C-60/ZnPc Organic Photovoltaic Cells by Polymerization between C-60 molecules

Matoba Yuki, Kato Masahiro, Watanabe Shinta, Okamoto Koichi, Nakaya Masato, Onoe Jun

2019 COMPOUND SEMICONDUCTOR WEEK (CSW) 頁： . 2019年

Two-Dimensional Organometallic Kondo Lattice with Long-Range Antiferromagnetic Order 査読有り

R. Tuerhong, F. Ngassam, S. Watanabe, J. Onoe, M. Alouani, and J.-P. Bucher

J. Phys. Chem. C 122 巻頁： 20046–20054 2018年8月

Spectroscopic and first-principles calculation studies of the chemical forms of palladium ion in nitric acid solution for development of disposal of high-level radioactive nuclear wastes 査読有り

Shinta Watanabe, Toshikazu Sato, Tomoko Yoshida, Masato Nakaya, Masahito Yoshino, Takanori Nagasaki, Yusuke Inaba, Kenji Takeshita, and Jun Onoe

AIP Advances 8 巻頁： 045221/1-9 2018年4月

Columnar Liquid Crystals from a Giant Macrocycle Mesogen 査読有り

Shin-ichiro Kawano, Masahiro Kato, Shinya Soumiya, Masato Nakaya, Jun Onoe, and Kentaro Tanaka

Angew. Chem. Int. Ed. 56 巻頁： 167–171 2018年1月

記述言語：英語掲載種別：研究論文（学術雑誌）

Columnar liquid crystals composed of a giant
macrocyclic mesogen were prepared. The giant macrocyclic
mesogen has a square hollow with a 2.5 nm diagonal, which
was bounded by diindolo[3,2-b:2',3'-h]carbazole (diindolocarbazole)
moieties as the edges and bis(salicylidene)-ophenylenediamine
(salphen) moieties as the corners. The
shape and size of the macrocycle were directly observed by
scanning tunneling microscopy (STM). Each side of the bright
square in the STM image corresponds to a diindolocarbazole
moiety, and the length of the sides was consistent with the result
of the single crystal analysis of diindolocarbazole. Finally, we
successfully obtained a giant macrocycle with long and
branched side chains, which exhibited a rectangular columnar
LC phase over a wide temperature range. To the best of our
knowledge, it contained the largest discrete inner space of any
thermotropic columnar liquid crystal composed of macrocyclic
mesogens.

DOI： 10.1002/anie.201709542

Spectroscopic and theoretical studies on the structural, electronic, and optical properties of zinc octaethylporphyrin/C60 co-deposited films 査読有り

Jun Onoe, Shinta Watanabe, Shiro Kato, Masato Nakaya, and Jean-Pierre Bucher

The journal of Chemical Physics 147 巻頁： 214701/1-8 2017年12月

A molecular heterojunction of zinc phthalocyanine and peanut-shaped fullerene polymer: A density functional study 査読有り

Kousei Tanikawa, Kaoru Ohno, Yusuke Noda, Shota Ono, Riichi Kuwahara, Akito Takashima, Masato Nakaya , Jun Onoe

Chemical Physics Letters 686 巻頁： 68-73 2017年8月

Intra- and inter-atomic optical transitions of Fe, Co, and Ni ferrocyanides studied using first-principles many-electron calculations 査読有り

Shinta Watanabe, Yuki Sawada, Masato Nakaya, Masahito Yoshino, Takanori Nagasaki, Tatsuya Kameyama, Tsukasa Torimoto, Yusuke Inaba, Hideharu Takahashi, Kenji Takeshita, and Jun Onoe

Journal of Applied Physics 119 巻頁： 235102/1-10 2016年6月

Two-dimensional periodic arrangement of one-dimensional polymerized C60 evidenced by high-resolution cryo-transmission electron microscopy 査読有り

Hideki Masuda, Hidehiro Yasuda, Jun Onoe

Carbon 96 巻頁： 316 2015年9月

High-resolution transmission electron microscopic and electron diffraction studies of C60 single crystal films before and after electron-beam irradiation 査読有り

H. Masuda, J. Onoe, and H. Yasuda

Carbon 81 巻頁： 842 2015年

Unified understanding of the electron-phonon coupling strength for nanocarbon allotropes 査読有り

S. Ono, Y. Toda, and J. Onoe

Physical Review B 90 巻頁： 155435 2014年11月

Anomaly in the electric resistivity of one-dimensional uneven peanut-shaped C60 polymer film at a low temperature 査読有り

S. Ryuzaki, J. Onoe

Applied Physics Letters 104 巻 ( 11 ) 頁： 113301 2014年

Basic aspects for improving the energy conversion efficiency of hetero-junction organic photovoltaic cells 査読有り

S. Ryuzaki and J. Onoe

Nano Reviews 4 巻頁： 21055 2013年

Electron transport properties of air-exposed one-dimensional uneven peanut-shaped C60 polymer films 査読有り

S. Ryuzaki, M. Nishiyama, and J. Onoe

Diamond & Relat. Mater. 33 巻頁： 12 2013年

In situ non-destructive impedance spectroscopic study of nanostructured hetero-junction organic photovoltaic cells 査読有り

S. Ryuzaki and J. Onoe

Jpn. J. Appl. Phys. 52 巻頁： 06GD03 2013年

One-dimensional uneven peanut-shaped C60 polymer: a quantum electronic system on Riemannian space 招待有り査読有り

J. Onoe, T. Ito, S. Kimura, H. Shima, Y. Toda, and H. Yoshioka

Fullerene, Nanotubes, and Carbon Nanostructures 20 巻 ( 1 ) 頁： 1-16 2012年

Anomalous enhancement in the infrared phonon intensity of one-dimensional uneven peanut-shaped C60 polymer 査読有り

J. Onoe, A. Takashima, S. Ono, H. Shima, and T. Nishii

J. Phys.: Condens. Matter 24 巻頁： 175405 2012年

Formation process and electron incident energy dependence of one-dimensional uneven peanut-shaped C60 polymer studied using in situ high-resolution infrared spectroscopy and first-principles density-functional calculations 査読有り

A. Takashima, T. Nishii, and J. Onoe

J. Phys. D: Appl. Phys. 45 巻頁： 485302 2012年

Observation of Riemannian geometrical effects on electronic states 査読有り

J. Onoe, T. Ito, H. Shima, H. Yoshioka and S. Kimura

Europhysics Letters 98 巻 ( 2 ) 頁： 27001 2012年

担当区分：筆頭著者記述言語：英語掲載種別：研究論文（学術雑誌）

Einstein first applied Riemannian geometry to develop the general theory of relativity almost one hundred years ago and succeeded in understanding astronomical-scale phenomena such as the straining of time-space by a gravitational field. Whether or not Riemannian space affects the electronic properties of condensed matters on a much smaller scale is of great interest. Although Riemannian geometry has been applied to quantum mechanics since the 1950s, nobody has yet answered this question, because the electronic properties of materials with Riemannian geometry have not been examined experimentally. We report here the first observation of Riemannian geometrical effects on the electronic properties of materials such as Tomononaga-Luttinger liquids, which were previously theoretically predicted by our group. We present in situ high-resolution ultraviolet photoemission spectra of a one-dimensional metallic C60 polymer with an uneven periodic peanut-shaped structure.

DOI： 10.1209/0295-5075/98/27001

Influence of charge accumulation of photo-generated carriers in the vicinity of donor/acceptor interface on the open-circuit voltage of Zinc-porphyrin/C60 hetero-junction organic photovoltaic cells 査読有り

S. Ryuzaki and J. Onoe

J. Phys. D: Appl. Phys. 44 巻頁： 265102 2011年

Effects of inter-molecular charge-transfer excitons on the external quantum efficiency of Zinc-porphyrin/C60 hetero-junction photovoltaic cells 査読有り

S. Ryuzaki, T. Kai, Y. Toda, S. Adachi, and J. Onoe

44 巻頁： 145103 2011年

Relativistic density-functional study on the solid solubility of transition metal/γ-uranium alloys: the role of d-d orbital interactions 査読有り

M. Kurihara, J. Onoe, M. Hirata, and C. Suzuki

Journal of Alloys and Compounds 509 巻頁： 1152-1156 2010年10月

In situ infrared spectroscopic and density-functional studies on the cross-linked structure of one-dimensional C60 polymer 査読有り

A. Takashima, J. Onoe, and T. Nishii

J. Appl. Phys. 108 巻頁： 033514 2010年

Infrared phonon anomaly of one-dimensional metallic peanut-shaped C60 polymer 査読有り

J. Onoe, A. Takashima and Y. Toda

Appl. Phys. Lett. 97 巻頁： 241911 2010年

Curvature effects on collective excitations in dumbbell-shaped hollow nanotubes 査読有り

H. Shima, H. Yoshioka, and J. Onoe

Physica E 42 巻頁： 1151–1154 2010年

Formation of (FeCl3)@phenylazomethine dendrimer (DPA): Fine control of the release and encapsulation of Fe ions in dendrimers 査読有り

K. Yamamoto, R. Nakajima, Y. Ochi, M. Tsuruta, M. Higuchi, A. Hida, and J. Onoe

Pure and Appl. Chem. 81 巻頁： 2253–2263 2009年

Femtosecond carrier dynamics in quasi-one-dimensional topological compounds 招待有り査読有り

Y. Toda, K. Shimatake, S. Tanda, and J. Onoe

Proc. SPIE 7214 巻頁： 72141G/1-12 2009年

Characteristic stability of bare Au-water nanofluids fabricated by pulsed laser ablation in liquids 査読有り

H.J. Kim, I.C. Bang, and J. Onoe

Opt. Laser Eng. 47 巻頁： 532–538 2009年

Geometry-driven shift in the Tomonaga-Luttinger exponent of deformed cylinders 査読有り

H. Shima, H. Yoshioka, and J. Onoe

Phys. Rev. B 79 巻頁： 201401 (R) 2009年

X-ray diffraction and infrared multiple-angle incidence resolution spectroscopic studies on the crystal structure and molecular orientation of Zinc-porphyrin thin films on a SiO2/Si substrate 査読有り

S. Ryuzaki, T. Hasegawa, and J. Onoe

J. Appl. Phys. 105 巻頁： 113529 2009年

DV-Xα study on the electronic structure of C120 isomers derived from the general Stone-Wales rearrangement 査読有り

A. Takashima, T. Nishii, and J. Onoe

Int. J. Quantum Chem. 109 巻頁： 2773–2779 2009年

X-ray diffraction and scanning electron microscopic studies on the crystal structure and surface/interface morphology of Zinc-octaethylporphyrin films on an ITO substrate spin-coated with PEDOT:PSS 査読有り

S. Ryuzaki and J. Onoe

J. Appl. Phys. 106 巻頁： 023526 2009年

Time dependence of the electronic structure of an electron-beam-irradiated C60 film 査読有り

J. Onoe, T. Ito, and S. Kimura

J. Appl. Phys. 104 巻頁： 103706 2008年

Application of the relativistic DV-Xα molecular orbital method to γ-uranium alloys with transition metals 査読有り

M. Kurihara, M. Hirata, J. Onoe, and H. Nakamatsu

Prog. Nucl. Ener. 50 巻頁： 549–555 2008年

The crystallinity and surface morphology of Zinc octaethylporphyrin thin films on an ITO substrate 査読有り

S. Ryuzaki and J. Onoe

J. Appl. Phys. 103 巻頁： 033516 2008年

Femtosecond carrier dynamics in an electron-beam-irradiated C60 film 査読有り

Y. Toda, S. Ryuzaki, and J. Onoe

Appl. Phys. Lett. 92 巻頁： 094102 2008年

In situ XPS study of metalloporphyrin fullerene alternative deposited thin films 査読有り

S. Ryuzaki, T. Ishii, and J. Onoe

Jpn. J. Appl. Phys. 46 巻頁： 5363–5366 2007年

In situ high resolution valence photoelectron spectra of a peanut shaped C60 polymer 査読有り

J. Onoe, T. Ito, S. Kimura, and K. Ohno

Eur. Phys. J. D 43 巻頁： 141–142 2007年

Optimized 3D structures and energy bands of peanut shaped C60 polymers 査読有り

K. Ohno, Y. Noguchi, S. Ueda, and J. Onoe

Eur. Phys. J. D 43 巻頁： 137–140 2007年

Valence electronic structure of crosslinked C60 polymers: In situ high-resolution photoelectron spectroscopic and density functional studies 査読有り

J. Onoe, T. Itoh, S. Kimura, K. Ohno, Y. Noguchi, and S. Ueda

Phys. Rev. B 75 巻頁： 233410 2007年

Electronic and electron transport properties of peanut shaped C60 polymers 査読有り

J. Onoe, Y. Ochiai, T. Ito, S. Kimura, S. Ueda, Y. Noguchi, and K. Ohno

J. Phys. Conf. Ser. 61 巻頁： 899–903 2007年

Electronic and electric properties of peanut-shaped C60 polymers with a negative Gaussian curvature 招待有り査読有り

J. Onoe

IEEJ Transactions on Electronics, Information and Systems 127 巻頁： 1324–1328 2007年

First-principles calculations of the vibrational spectra of one-dimensional C60 polymers 査読有り

T.A. Beu and J. Onoe

Phys. Rev. B 74 巻頁： 195426 2006年

Dimension dependence of the electronic structure of fullerene polymers 査読有り

S. Ueda, K. Ohno, Y. Noguchi, S. Ishii, and J. Onoe

J. Phys. Chem. B 110 巻頁： 22374 2006年

Calculation of energy bands for peanuts-shaped fused fullerene polymers 査読有り

S. Ueda, Y. Noguchi, T. Ishii, J. Onoe, and K. Ohno

J. Metastable & Nanocrystalline Materials 24-25 巻頁： 249–252 2005年

First-principle calculations of the electronic structure of one-dimensional C60 polymers 査読有り

T.A. Beu, J. Onoe, and A. Hida

Phys. Rev. B 72 巻頁： 155416 2005年

The electron transport properties of photo and electron beam irradiated C60 films 査読有り

J. Onoe, T. Nakayama, M. Aono, and T. Hara

J. Phys. Chem. Solids 65 巻頁： 343–348 2004年

In situ x-ray photoelectron spectroscopic and density-functional studies of Si atoms adsorbed on a C60 film 査読有り

J. Onoe, A. Nakao, and T. Hara

J. Chem. Phys. 121 巻頁： 11351–11357 2004年

Valence photoelectron spectra of an electron-beam irradiated C60 film 査読有り

J. Onoe, A. Nakao, and A. Hida

Appl. Phys. Lett. 85 巻頁： 2741–2743 2004年

Application of coincidence Doppler-broadening spectroscopy to different carbon phases 査読有り

Y. Ito, N. Djourelov, T. Suzuki, K. Kondo, Y. Ito, V. Shantarovich, and J. Onoe

Mater. Sci. Forum 445-446 巻頁： 310–312 2004年

Electrical properties of a two-dimensionally hexagonal C60 photopolymer 査読有り

J. Onoe, T. Nakayama, M. Aono, and T. Hara

J. Appl. Phys. 96 巻頁： 443–445 2004年

Application of coincidence Doppler broadening spectroscopy to simple hydrocarbons 査読有り

N. Djourelov, T. Suzuki, Y. Ito, V. Shantarovich, Y. Ito, K. Kondo, and J. Onoe

Chem. Phys. 298 巻頁： 183–187 2004年

Theoretical study on the alloying behavior of γ-uranium metal (I): γ-uranium alloy with 3d transition metals 査読有り

M. Kurihara, M. Hirata, R. Sekine, J. Onoe, and H. Nakamatsu

J. Nucl. Mater. 326 巻頁： 75–79 2004年

Analysis of electron spectra of carbon allotropes (diamond, graphite, fullerene) by density-functional theory calculations using the model molecules 査読有り

E. Endo, S. Koizumi, T. Otsuka, T. Ida, T. Morohashi, J. Onoe, A. Nakao, E.Z. Kurmaev, A. Moewes, and D.P. Chong

J. Phys. Chem. A 107 巻頁： 9403–9408 2003年

Geometric and electronic structures for Tc and Mn clusters by density functional calculations 査読有り

R. Sekine, R. Kondo, T. Yamamoto, and J. Onoe

Radiochemistry 45 巻頁： 213–216 2003年

Structural and electrical properties of an electron-beam irradiated C60 film 査読有り

J. Onoe, T. Nakayama, M. Aono, and T. Hara

Appl. Phys. Lett. 82 巻頁： 595–597 2003年

Vibrational analysis of peanut-shaped C120 fullerenes 査読有り

T. Hara and J. Onoe

Eur. Phys. J. D 24 巻頁： 389-392 2003年

Field emission from an electron-beam irradiated C60 film 査読有り

T. Hara, J. Onoe, and K. Takeuchi

J. Appl. Phys. 92 巻頁： 7302–7305 2002年

Structural and vibrational properties of C36 and its oligomers (C36)M=2,3,4 by tight-binding molecular dynamics 査読有り

T.A. Beu, J. Onoe, and K. Takeuchi

Eur. Phys. J. D 17 巻頁： 205–212 2001年

Normal vibrational analysis of the triplet excited state of C60 査読有り

T. Hara, J. Onoe, and K. Takeuchi

Phys. Rev. B 63 巻頁： 115412 2001年

Kinetic study of an electron-beam irradiated C60 film using in situ infrared spectroscopy 査読有り

J. Onoe, T. Hara, and K. Takeuchi

Synthetic Metals 121 巻頁： 1141–1142 2001年

Enhanced field-emission characteristics of an electron-beam irradiated C60 film 査読有り

T. Hara, J. Onoe, and K. Takeuchi

Trans. Mater. Res. Soc. Jpn. 26 巻頁： 1171–1174 2001年

Density-functional study of Cu and Zn clusters: Comparison with Na and Mg clusters 査読有り

R. Sekine, A. Sagawa, T. Urago, R. Kondo, K. Tanaka, J. Onoe, and H. Nakamatsu

Trans. Mater. Res. Soc. Jpn. 26 巻頁： 1109–1112 2001年

In situ XPS study of Si-deposited C60 thin films 査読有り

H. Tanaka, J. Onoe, and K. Takeuchi

Trans. Mater. Res. Soc. Jpn. 26 巻頁： 1175–1178 2001年

Electronic structures and chemical bonding of actinyl nitrates dihydrates 査読有り

M. Hirata, S. Tachimori, R. Sekine, J. Onoe, and H. Nakamatsu

Adv. Quantum Chem. 37 巻頁： 335–352 2000年

In situ FTIR study of an electron-beam induced reaction of C60 film 査読有り

T. Hara, J. Onoe, H. Tanaka, and K. Takeuchi

Mol. Cryst. Liq. Cryst. 340 巻頁： 695–700 2000年

In situ FTIR, XPS, and STM studies of the nano-structure of a photopolymerized C60 film 査読有り

J. Onoe, T. Nakayama, A. Nakao, Y. Hashi, K. Esfarjani, Y. Kawazoe, M. Aono, and K. Takeuchi

Mol. Cryst. Liq. Cryst. 340 巻頁： 689–694 2000年

Investigation of the interaction between C60 and Si atom 査読有り

H. Tanaka, J. Onoe, T. Hara, A. Nakao, and K. Takeuchi

Mol. Cryst. Liq. Cryst. 340 巻頁： 701–705 2000年

Simulation of Raman spectra of C60 and C70 by non-orthogonal tight-binding molecular dynamics 査読有り

T. A. Beu, J. Onoe, and K. Takeuchi

Eur. Phys. J. D 10 巻頁： 391–398 2000年

In situ Fourier-Transform infrared study of electron-irradiation-induced reaction in a C60 film 査読有り

T. Hara, J. Onoe, H. Tanaka, Y. Li, and K. Takeuchi

Jpn. J. Appl. Phys. 39 巻頁： 1872–1876 2000年

XPS and ab initio MD studies of an air-exposed C60 film 査読有り

J. Onoe, K. Ohno, Y. Kawazoe and K. Takeuchi

Trans. Mater. Res. Soc. Jpn. 25 巻頁： 1011–1014 2000年

Density-functional calculations of the normal vibrations for the triplet excited state of C60 査読有り

T. Hara, J. Onoe, and K. Takeuchi

Trans. Mater. Res. Soc. Jpn. 25 巻頁： 1041–1044 2000年

XPS study of SixC60 thin films 査読有り

H. Tanaka, J. Onoe, T. Hara, and K. Takeuchi

Trans. Mater. Res. Soc. Jpn. 25 巻頁： 1045–1047 2000年

Geometric and electronic structures of Fen- (n=2-8) clusters 査読有り

R. Kondo, R. Sekine, J. Onoe, and H. Nakamatsu

Trans. Mater. Res. Soc. Jpn. 25 巻頁： 967–970 2000年

Geometric and electronic structures of V and Cr clusters 査読有り

R. Kondo, R. Sekine, J. Onoe, and H. Nakamatsu

J. Surf. Sci. Soc. Jpn. 21 巻頁： 462–467 2000年

Discrete variational Dirac Slater calculation on valence band XPS for α Uranium Metal 査読有り

M. Kurihara, M. Hirata, R. Sekine, J. Onoe, and H. Nakamatsu

J. Nucl. Mater. 281 巻頁： 140–145 2000年

Atomic number dependence of relativistic effects on chemical bonding 査読有り

Jun Onoe

Adv. Quantum. Chem. 37 巻頁： 311–324 2000年

Relativistic density-functional calculation for potential energy curves of uranyl nitrate hydrate 査読有り

M. Hirata, T. Bastug, S. Tachimori, R. Sekine, J. Onoe, and H. Nakamatsu

Adv. Quantum Chem. 37 巻頁： 325–334 2000年

On role of the 3d atomic orbital in the chemical bonding of sulfur fluorides 査読有り

K. Tanaka, R. Sekine, J. Onoe, and H. Nakamatsu

Adv. Quantum Chem. 37 巻頁： 375–383 2000年

Analysis of chemical bond for metal clusters: I. Alkali metal and alkaline earth metals 査読有り

R. Sekine, K. Tanaka, J. Onoe, K. Takeuchi, and H. Nakamatsu

Adv. Quantum Chem. 37 巻頁： 237–254 2000年

A note on the inhibition of the isotope exchange reaction between ²³⁵U-enriched UF₅ nanoparticles and natural UF₆ gas 査読有り

J. Onoe, Y. Kuga, and K. Takeuchi

J. Nucl. Sci. Technol. 36 巻頁： 108-109 1999年

Photo induced products in a C60 monolayer on Si(111)√3x√3R30° Ag : An STM study 査読有り

T. Nakayama, J. Onoe, K. Nakatsuji, J. Nakamura, K. Takeuchi, and M. Aono

Surf. Rev. Lett. 6 巻頁： 1073-1078 1999年

In situ infrared spectroscopy of a photo-irradiated potassium-doped C60 film 査読有り

J. Onoe, Y. Hashi, K. Esfarjani, T. Hara, Y. Kawazoe, and K. Takeuchi

Chem. Phys. Lett. 315 巻頁： 19-24 1999年

Activation energy for the isotope exchange reaction between ²³⁵UF₅ nanoparticles and ²³⁸UF₆ gas 査読有り

Y. Kuga, K. Ando, J. Onoe, and K. Takeuchi

J. Phys. Chem. B 103 巻頁： 7452-7455 1999年

Formation process of Si-coated C₆₀ 査読有り

H. Tanaka, S. Osawa, J. Onoe, and K. Takeuchi

J. Phys. Chem. B 103 巻頁： 5939-5942 1999年

Weakly bound C₆₀ monolayer on Si(111)√3x√3R30°-Ag substrate surface 査読有り

T. Nakayama, J. Onoe, K. Takeuchi, and M. Aono

Phys. Rev. B 59 巻頁： 12627–12631 1999年

FT-IR and FT-MS studies of a photo-irradiated K_xC₆₀ film 査読有り

J. Onoe, Y. Hashi, K. Esfarjani, Y. Kawazoe, and K. Takeuchi

Eur. Phys. J. D 9 巻頁： 363-367 1999年

Discrete-variational Dirac-Slater calculation on valence band XPS for UC 査読有り

M. Kurihara, M. Hirata, R. Sekine, J. Onoe, H. Nakamatsu, T. Mukoyama, and H. Adachi

J. Alloys and Compd. 283 巻頁： 128-132 1999年

Homogeneous and mixed UF₆ clusters with Ar: Calculations of structures and IR spectra 査読有り

T.A. Beu, J. Onoe, and K. Takeuchi

J. Chem. Phys. 109 巻頁： 8295–8303 1998年

Electronic Structures of Metal Carbides TiC and UC: Similarity and Dissimilarity 査読有り

R. Sekine, H. Nakamatsu, T. Mukoyama, J. Onoe, M. Hirata, M. Kurihara, and H. Adachi

Adv. Quantum Chem. 29 巻頁： 123-136 1998年

The electronic structures of actinyl nitrate-triethyl phosphate complexes using the DV-DS method 査読有り

M. Hirata, R. Sekine, J. Onoe, H. Nakamatsu, T. Mukoyama, K. Takeuchi, and S. Tachimori

J. Alloy and Compd. 271-273 巻頁： 128-132 1998年

Photopolymerized C₆₀ film by XPS 査読有り

A. Nakao, J. Onoe, and K. Takeuchi

Surf. Sci. Spectra 5 巻頁： 313-317 1998年

Vibrational modes and IR analysis of neutral photopolymerized C₆₀ dimers 査読有り

K. Esfarjani, Y. Hashi, J. Onoe, K. Takeuchi, and Y. Kawazoe

Phys. Rev. B 57 巻頁： 223-229 1998年

Coalescence of [60] Fullerene Molecules in Toluene under Ultrahigh Pressure 査読有り

S. Osawa, J. Onoe, and K. Takeuchi

Fullerene Sci. Technol. 6 巻頁： 301-308 1998年

X-ray photoelectron spectroscopy of air-exposed C₆₀films: Origin of the O1s core peak 査読有り

J. Onoe, K. Ohno, Y. Kawazoe, and K. Takeuchi

J. Vac. Sci. Technol. A 16 巻頁： 385-388 1998年

Photo-induced coalescence of C₆₀ molecules in a potassium-doped C₆₀ film: mass spectral evidence 査読有り

J. Onoe and K. Takeuchi

J. Mass Spectromet. 33 巻頁： 387–391 1998年

In situ high-resolution FT-IR study of the grass transition in a C₆₀ film 査読有り

T. Hara, J. Onoe, and K. Takeuchi

J. Phys. Chem. B 101 巻頁： 9532–9536 1997年

Valence electronic structure of uranyl nitrate UO₂(NO₃)₂-2H₂O 査読有り

M. Hirata, H. Monjushiro, R. Sekine, J. Onoe, H. Nakamatsu, T. Mukoyama, H. Adachi and K. Takeuchi

J. Electron Spectrosc. Relat. Phenom. 83 巻頁： 59-64 1997年

Structure and Bond Nature of the UF₅ Monomer 査読有り

J. Onoe, H. Nakamatsu, T. Mukoyama, R. Sekine, H. Adachi, and K. Takeuchi

Inorg. Chem. 36 巻頁： 1934-1938 1997年

Calculations of Structure and IR-spectrum for small UF₆ clusters 査読有り

T.A. Beu, J. Onoe, and K. Takeuchi

J. Chem. Phys. 106 巻頁： 5910-5919 1997年

XPS study of a photopolymerized C₆₀ film 査読有り

J. Onoe, A. Nakao, and K. Takeuchi

Phys. Rev. B 55 巻頁： 10051-10056 1997年

Structure and frequency shift calculations for small UF₆ clusters 査読有り

T.A. Beu, J. Onoe, and K. Takeuchi

J. Mol. Struct. 410-411 巻頁： 295-298 1997年

Relativistic Effects on Covalent Bonding: Role of Individual Valence Atomic Orbitals 査読有り

Jun Onoe

J. Phys. Soc. Jpn. 66 巻頁： 2328-2336 1997年

How many [2+2] four-membered rings are formed on a C₆₀ molecule when photopolymerization is saturated? 査読有り

J. Onoe and K. Takeuchi

Phys. Rev. Lett. 79 巻頁： 2987-2989 1997年

A critical comment on the previous models for F-atom transfer reaction from UF₆ to UF₅ 査読有り

K. Takeuchi, Y. Kuga, Y. Okada, and J. Onoe

J. Nucl. Sci. Technol. 34 巻頁： 1110-1111 1997年

Effect of ²³⁵UF₆-²³⁸UF₆ Gas Mixing on the Kinetic Rate of the Isotope Exchange Reaction between 235U-Enriched UF₅ Nanoparticles and Natural UF₆ Gas 査読有り

Y. Kuga, J. Onoe, S. Isomura, and T. Takeuchi

J. Nucl. Sci. Technol. 33 巻頁： 889–891 1996年

Relativistic change in bond overlap population for the study of relativistic effects on bond length of diatomic molecules 査読有り

J. Onoe, H. Nakamatsu, T. Mukoyama, R. Sekine, H. Adachi, and K. Takeuchi

J. Phys. Soc. Jpn. 65 巻頁： 2459–2462 1996年

Vibrational predissociation of UF₆ clusters in supersonic Laval nozzle flow 査読有り

Y. Okada, H. Okamura, J. Onoe, A. Suda, H. Tashiro, and K. Takeuchi

Appl. Phys. B 63 巻頁： 57-61 1996年

In situ high-resolution infrared spectroscopy of a photopolymerized C₆₀ film 査読有り

J. Onoe and K. Takeuchi

Phys. Rev. B 54 巻頁： 6167–6171 1996年

In situ high-resolution FT-IR study of the orientational phase transition in C₆₀ film 査読有り

Jun Onoe and Kazuo Takeuchi

J. Phys. Chem. 99 巻頁： 16786–16791 1995年

Note on the contribution of relativity to Cu₂ bonding 査読有り

J. Onoe, K. Takeuchi, H. Nakamatsu, T. Mukoyama, and H. Adachi

J. Phys. Soc. Jpn. 63 巻頁： 3992–3995 1994年

Atomic-number dependence of the relativistic effects on chemical bonding using the non-relativistic and relativistic discrete-variational Xα methods 査読有り

J. Onoe, H. Nakamatsu, T. Mukoyama, R. Sekine, H. Adachi, and K. Takeuchi

Chem. Phys. Lett. 217 巻頁： 61-64 1994年

Formation of C₆₀ from a BCl₃ and C₆H₆ gas mixture irradiated with a TEA CO₂ laser 査読有り

J. Onoe, T. Oyama, and K. Takeuchi

Rev. Laser Eng. 22 巻頁： 213-215 1994年

Theoretical study of the valence photoelectron spectrum of UF₆ 査読有り

J. Onoe, K. Takeuchi, H. Nakamatsu, T. Mukoyama, R. Sekine, and H. Adachi

J. Electron Spectrosc. Relat. Phenom. 70 巻頁： 89-93 1994年

Relativistic effects on the electronic structure and chemical bonding of UF₆ 査読有り

J. Onoe, K. Takeuchi, H. Nakamatsu, T. Mukoyama, R. Sekine, I.-l. Kim, and H. Adachi

J. Chem. Phys. 99 巻頁： 6810-6817 1993年

Characterization of UF₅ ultrafine particles using TEM, XPS and XRD 査読有り

J. Onoe, N. Uehara, Y. Iimura, T. Oyama, O. Suto, Y. Shimazaki, and K. Takeuchi

J. Nucl. Mater. 207 巻頁： 205-211 1993年

Theoretical Study of UV Excited States of UF₆ using the Discrete-Variational Dirac-Slater Calculation Model 査読有り

J. Onoe, K. Takeuchi, H. Nakamatsu, T. Mukoyama, R. Sekine and H. Adachi

Chem. Phys. Lett. 196 巻頁： 636-640 1992年

A New Calculation Method for Simulation of the Growing Particles-Gas Reaction System 査読有り

J. Onoe, Y. Kuga, and K. Takeuchi

Radioisotopes 41 巻頁： 135-139 1992年

Discrete-variational Dirac-Slater calculation on XPS for the valence levels of UF₆ 査読有り

J. Onoe, K. Takuechi, H. Nakamatsu, T. Mukoyama, R. Sekine, and H. Adachi

J. Electron Spectrosc. Relat. Phenom. 60 巻頁： 29-36 1992年

Isotope Exchange Reaction between U-235 Enriched Uranium Pentafluoride Particles and Natural Uranium Hexafluoride Gas 査読有り

J. Onoe, Y. Kuga, S. Isomura, and K. Takeuchi

J. Nucl. Sci. Technol. 28 巻頁： 777-779 1991年

Photochemical Nucleic Acid Base Formation with Particulate Semiconductors under Irradiation 査読有り

J. Onoe and T. Kawai

Chem. Commun. 頁： 681-683 1988年

Photochemical Amino Acid, Peptide, and Nucleic Acid Base Formation with Particulate Semiconductors 査読有り

T. Kawai and J. Onoe

J. Electrochem. Soc. 134 巻頁： 461-467 1987年

Photochemical Formation of Glycine and Methylamine from Glycolic Acid and Ammonia in the Presence of Particulate Cadmium Sulfide 査読有り

J. Onoe and T. Kawai

Chem. Commun. 頁： 1480–1481 1987年

Peptide Formation from Amino Acid with Particulate Semiconductor Photocatalysts 査読有り

J. Onoe, T. Kawai, and S. Kawai

Chem. Lett. 頁： 1667–1670 1985年

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