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101.
Kun'ichi Miyazawa Takuro Nagai Koji Kimoto Masaru Yoshitake Yumi Tanaka 《Surface and interface analysis : SIA》2021,53(1):84-89
We analyzed the surface atomic structure of highly oriented pyrolytic graphite (HOPG) substrate exfoliated with adhesive tape, using high‐resolution transmission electron microscopy and scanning transmission electron microscopy‐electron energy‐loss spectroscopy (STEM‐EELS). The surface step height of the exfoliated HOPG substrate was determined using high‐angle annular dark‐field‐scanning transmission electron microscopy (HAADF‐STEM) images and the depth profiles of the EELS spectra of a cross‐sectioned thin foil specimen prepared via focused ion beam milling. The exfoliated surface of the HOPG substrate presented disordered and curved graphene layers. The STEM‐EELS measurements indicated that upon exfoliation, the surface of the HOPG substrate reacted with atmospheric water and oxygen molecules. 相似文献
102.
Shuichi Ebisawa Takuro Tsutsumi Tetsuya Taketsugu 《Journal of computational chemistry》2021,42(1):27-39
A mathematical aspect of the anharmonic downward distortion following (ADDF) path is discussed. The ADDF method is utilized as an automated reaction path search method, which can explore transition state geometries on a potential energy surface from a potential minimum. We show that the maximum number of the ADD stationary paths intersecting the potential minimum is 2f + 1 ? 2 , where f denotes the degree of freedom of the system. We also show that the bifurcation of the ADD stationary path is essential to detect all the transition states connected from a given minimum. The ADDF computation is demonstrated for a H2O molecule in which pitchfork bifurcation is observed. 相似文献
103.
Keiichi Hirano Yoshiki Yamashita Yumiko Takahashi Hiroshi Sugiyama 《Journal of synchrotron radiation》2015,22(4):956-960
A novel X‐ray Bragg optics is proposed for variable‐magnification of an X‐ray beam. This X‐ray Bragg optics is composed of two magnifiers in a crossed arrangement, and the magnification factor, M, is controlled through the azimuth angle of each magnifier. The basic properties of the X‐ray optics such as the magnification factor, image transformation matrix and intrinsic acceptance angle are described based on the dynamical theory of X‐ray diffraction. The feasibility of the variable‐magnification X‐ray Bragg optics was verified at the vertical‐wiggler beamline BL‐14B of the Photon Factory. For X‐ray Bragg magnifiers, Si(220) crystals with an asymmetric angle of 14° were used. The magnification factor was calculated to be tunable between 0.1 and 10.0 at a wavelength of 0.112 nm. At various magnification factors (M≥ 1.0), X‐ray images of a nylon mesh were observed with an air‐cooled X‐ray CCD camera. Image deformation caused by the optics could be corrected by using a 2 × 2 transformation matrix and bilinear interpolation method. Not only absorption‐contrast but also edge‐contrast due to Fresnel diffraction was observed in the magnified images. 相似文献
104.
Syuji Fujii Yuma Yamashita Yoshinobu Nakamura Akira Tsuchida Tsuneo Okubo 《Colloid and polymer science》2014,292(7):1627-1637
Colloidal crystallization and amorphous solidification of deionized suspensions of the polydispersed cationic gel spheres of lightly cross-linked poly(2-vinylpyridine), CAIBA-P2VP (107~113 nm in diameter, ±19~22 nm in dispersity), have been studied from the reflection spectroscopy, morphology, phase diagram, and elastic property. Crystallization takes place even for the polydispersed cationic gel spheres by the significant contribution of the extended electrical double layers formed around the spheres. Critical concentrations of melting coexisted with ion exchange resins were around 0.02 in volume fraction and high compared with those of other cationic and anionic gel crystals examined hitherto. The densities (ρ) of CAIBA-P2VP in suspension state, i.e., weight percent of the gel spheres divided by the corresponding volume percent, was around 0.3. The ρ values decreased sharply with decreasing size of P2VP gel spheres, which supports the small gel spheres containing much water inside and being softer than the large ones. The closest intersphere distances of the crystals and/or amorphous solids were much longer than the hydrodynamic diameters of the gel spheres especially at low sphere concentrations. Fluctuation parameters (b) evaluated from the rigidities of CAIBA-P2VP (0.15~0.28) were large compared with those of gel crystals of large-sized P2VP-based cationic gel spheres, anionic thermosensitive gel spheres of poly(N-isopropylacrylamide) (0.05~0.09) and further much larger than those of typical colloidal hard spheres (around 0.03). The dispersity in sphere size played an important role for distinguishing crystal and amorphous solid. Importance of the extended electrical double layers around the cationic gel spheres is supported in addition to the excluded volume effect of the sphere themselves on the crystallization and/or solidification. 相似文献
105.
Yuji Kikukawa Kensuke Seto Daiki Watanabe Hiromasa Kitajima Misaki Katayama Shohei Yamashita Yasuhiro Inada Yoshihito Hayashi 《Angewandte Chemie (International ed. in English)》2020,59(34):14399-14403
Dodecavanadate, [V12O32]4? (V12), possesses a 4.4 Å cavity entrance, and the cavity shows unique electrophilicity. Owing to the high polarizability, Br2 was inserted into V12, inducing the inversion of one of the VO5 square pyramids to form [V12O32(Br2)]4? (V12(Br2)). The inserted Br2 molecule was polarized and showed a peak at 185 cm?1 in the IR spectrum. The reaction of V12(Br2) and toluene yielded bromination of toluene at the ring, showing the electrophilicity of the inserted Br2 molecule. Compound V12(Br2) also reacted with propane, n‐butane, and n‐pentane to give brominated alkanes. Bromination with V12(Br2) showed high selectivity for 3‐bromopentane (64 %) among the monobromopentane products and preferred threo isomer among 2‐,3‐dibromobutane and 2,3‐dibromopenane. The unique inorganic cavity traps Br2 leading the polarization of the diatomic molecule. Owing to its new reaction field, the trapped Br2 shows selective functionalization of alkanes. 相似文献
106.
The dynamic changes in ferroelectric liquid crystal (FLC) molecular alignments under an applied electric field are examined
by observing the formation of conoscopic figures with a time resolution of 0.1 ms. Close agreements between observed and simulated
conoscopic figures under low voltage (30 V) were obtained. Under high voltage (120 V), however, the observed conoscopic figures
became blurred between 0.8 ms and 1.1 ms after reversal of the electric field. The light scattering producing the blurriness
occurred due to the development of fast transient molecular alignments during the switching transition above the applied voltage
70 V. 相似文献
107.
108.
109.
110.
Masahiro Yamashita Daisuke Kawakami Satoshi Matsunaga Yoshio Nakayama Mari Sasaki Shinya Takaishi Fumiyasu Iwahori Hitoshi Miyasaka Ken‐ichi Sugiura Yoshiki Wada Hiroshi Miyamae Hiroyuki Matsuzaki Hiroshi Okamoto Hisaaki Tanaka Kazuhiro Marumoto Shin‐ichi Kuroda 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2004,116(36):4867-4871