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Article
Simulation of Initial Growth Process of Pt Cluster on Carbon Materials - First-Principles Calculations
First-principles calculations have been applied to investigate the interactions between Ptn (n=1˜13) clusters and a graphene sheet to model the Pt/C fuel-cell catalytic electrode. For the small clustesr (n<7),...
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Article
Ocular blood flow changes after dynamic exercise in humans
To investigate control mechanisms for ocular blood flow changes after dynamic exercise using two different methods.
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Article
Nanoscale characterization of Pd/TiO2 catalysts and Ag/TiO2 catalysts by electron holography
Catalytic properties of noble metal catalysts are often caused by their nanostructures and the interaction between nano particles and oxides supports. We examine the mean inner potential of Pd particles in Pd/TiO
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Article
TEM observation of gold nanoparticles deposited on cerium oxide
The structure of Au nanoparticles supported on CeO2 using the deposition precipitation method was observed using a transmission electron microscope (TEM). The shape of Au nanoparticles and the fine structure of c...
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Article
Effects of stoichiometry on electronic states of Au and Pt supported on TiO2(110)
We have investigated electronic structures and charge transfers of Au and Pt supported on the TiO2(110) surface, using first-principles calculation. In order to investigate the effect of stoichiometry, we examine...
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Article
Electron Holographic Characterization of Nano-Hetero Interface Effect in Gold Catalysts
We investigated the atomic structure near the interface and the size dependence of the mean inner potential of gold in Au/TiO2 catalysts prepared by the deposition precipitation (DP) method and the vacuum evapora...
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Article
Mean Inner Potential of Nanostructured Noble Metal Catalysts - Pt/TiO2 Catalyst -
Catalytic properties of noble metal catalysts are often caused by their nanostructures. Gold catalysts are typical cases. It is especially interesting that the catalytic property of gold suddenly changes to re...
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Article
Analytical TEM Observations of Combinatorial Catalyst Libraries for Hydrogen Production–As a Part of “MATERIOMICS”-
Materiomics is a new approach combining combinatorial surveys and precise structure analyses in order to develop new functional materials efficiently. In this paper, we show the first stage of materiomics applied...
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Article
Atomic and Electronic Structures of Nano-Interface In Au/TiO2 Catalyst - Electron Microscopic Approach -
The size dependence of the catalytic property of the gold catalysts has been reported. It is especially interesting that the catalytic property of gold suddenly changes to show a platinum-like behavior when th...
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Article
Atomic and Electronic Structure Analysis of Σ=3, 9 and 27 Boundary, and Multiple Junction in β-SiC
The atomic structures of Σ=3, 9 and 27 boundaries, and multiple junctions in β-SiC were studied by high-resolution electron microscopy (HREM). Especially, the existence of the variety of structures of Σ=3 inco...
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Article
Tight-Binding Calculations of Complex Defects in Semiconductors: Comparison with AB Initio Results
Complex defects in Si and SiC such as coincidence tilt boundaries, planar defects and self-interstitial clusters were dealt with by using the transferable tight-binding method for Si and the self-consistent ti...
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Article
Tight-binding calculations of the {211} Σ=3 boundary in diamond
The atomic and electronic structure of the {211} Σ=3 boundary in diamond has been calculated by using the transferable tight-binding method. Several atomic models with symmetry consistent with the electron mic...
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Article
Energies and Atomic Structures of Grain Boundaries in Silicon: Comparison Between Tilt and Twist Boundaries
The energies and atomic structures of tilt and twist boundaries in Si have been examined by using the tight-binding electronic theory, and the reason why twist boundaries are seldom found in polycrystalline Si...
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Article
Tight-Binding Study of the 211 Σ=3 Grain Boundary in Cubic Silicon-Carbide
In grain boundaries in compound semiconductors such as SiC, the interface stoichiometry and the wrong bonds between like atoms are of much importance. Firstly, a general definition of the interface stoichiomet...
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Article
Effects of Structural Disorder on the Electronic Properties of Silicon: Tight-Binding Calculations of Grain Boundaries
The atomic and electronic structures of tilt and twist boundaries in Si have been calculated by using the transferable semi-empirical tight-binding (SETB) method, and the relations between the local structural...
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Article
Origins of the Gap States in Polycrystalline Silicon: Tight-Binding Calculations of Twist Boundaries
The atomic and electronic structures of the twist boundaries (Σ=3(011), Σ=7(111) and Σ=5(001)) In Si have been calculated by using the transferable SETB method coupled with the supercell technique. The twist b...
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Article
Theoretical Study of Polar and Non-Polar Interfaces in Compound Semiconductors: A Thermodynamic Analysis Based on Electronic Structure Calculations
Polar and non-polar interfaces of grain boundaries in compound semiconductors can be defined by the stoichlometry in the interface region, and It Is possible to construct two polar and one non-polar Interfaces...
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Article
Electronic Structures at Metal/Alumina Interfaces
The electronic structure of the interface between α-Al2O3(0001) and Nb layers has been calculated using the empirical tight-binding method and the slab model. It has been shown that a direct chemical bond of both...
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Article
The Atomic and Electronic Structures of Grain Boundaries in Silicon-Carbide and Silicon
The atomic and electronic structure of the {122} Σ=9 grain boundary in cubic SiC has been calculated for the first time using the self-consistent tight-binding (SCTB) method. An atomic model consisting of zigz...
