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Featured researches published by Yusuke Ootani.


ACS Applied Materials & Interfaces | 2016

A Study on Electrolytic Corrosion of Boron-Doped Diamond Electrodes when Decomposing Organic Compounds

Takeshi Kashiwada; Takeshi Watanabe; Yusuke Ootani; Yoshitaka Tateyama; Yasuaki Einaga

Electrolytic corrosion of boron-doped diamond (BDD) electrodes after applying a high positive potential to decompose organic compounds in aqueous solution was studied. Scanning electron microscopy images, Raman spectra, and glow discharge optical emission spectroscopy revealed that relatively highly boron-doped domains were primarily corroded and relatively low boron-doped domains remained after electrolysis. The corrosion due to electrolysis was observed especially in aqueous solutions of acetic acid or propionic acid, while it was not observed in other organic compounds such as formic acid, glucose, and methanol. Electron spin resonance measurements after electrolysis in the acetic acid solution revealed the generation of methyl radicals on the BDD electrodes. Here, the possible mechanisms for the corrosion are discussed. Dangling bonds may be formed due to abstraction of OH groups from C-OH functional groups by methyl radicals generated on the surface of the BDD electrodes. As a result, the sp3 diamond structure would be converted to the sp2 carbon structure, which can be easily etched. Furthermore, to prevent electrolytic corrosion during electrolysis, both the current density and the pH condition in the aqueous solution were optimized. At low current densities or high pH, the BDD electrodes were stable without electrolytic corrosion even in the acetic acid aqueous solution.


ACS Applied Materials & Interfaces | 2017

Tight-Binding Quantum Chemical Molecular Dynamics Study on the Friction and Wear Processes of Diamond-Like Carbon Coatings: Effect of Tensile Stress

Yang Wang; Jingxiang Xu; Yusuke Ootani; Shandan Bai; Yuji Higuchi; Nobuki Ozawa; Koshi Adachi; Jean Michel Martin; Momoji Kubo

Diamond-like carbon (DLC) coatings have attracted much attention as an excellent solid lubricant due to their low-friction properties. However, wear is still a problem for the durability of DLC coatings. Tensile stress on the surface of DLC coatings has an important effect on the wear behavior during friction. To improve the tribological properties of DLC coatings, we investigate the friction process and wear mechanism under various tensile stresses by using our tight-binding quantum chemical molecular dynamics method. We observe the formation of C-C bonds between two DLC substrates under high tensile stress during friction, leading to a high friction coefficient. Furthermore, under high tensile stress, C-C bond dissociation in the DLC substrates is observed during friction, indicating the atomic-level wear. These dissociations of C-C bonds are caused by the transfer of surface hydrogen atoms during friction. This work provides atomic-scale insights into the friction process and the wear mechanism of DLC coatings during friction under tensile stress.


Journal of Physical Chemistry C | 2014

Acetonitrile Solution Effect on Ru N749 Dye Adsorption and Excitation at TiO2 Anatase Interface

Yoshitaka Tateyama; Masato Sumita; Yusuke Ootani; Ryota Jono; Liyuan Han; Keitaro Sodeyama


Surface Science | 2016

First-principles study on the cosensitization effects of Ru and squaraine dyes on a TiO2 surface

Yusuke Ootani; Keitaro Sodeyama; Liyuan Han; Yoshitaka Tateyama


Journal of Physical Chemistry C | 2015

Possibility of NCS Group Anchor for Ru Dye Adsorption to Anatase TiO2(101) Surface: A Density Functional Theory Investigation

Yusuke Ootani; Keitaro Sodeyama; Liyuan Han; Yoshitaka Tateyama


Journal of Physical Chemistry C | 2018

Contrasting Roles of Water at Sliding Interfaces between Silicon-Based Materials: First-Principles Molecular Dynamics Sliding Simulations

Yusuke Ootani; Jingxiang Xu; Takahiro Hatano; Momoji Kubo


Chemistry Letters | 2018

Molecular Interactions between Pentacene and Imidazolium Ionic Liquids: A Molecular Dynamics Study

Ida Bagus Hendra Prastiawan; Jingxiang Xu; Yusuke Ootani; Yuji Higuchi; Nobuki Ozawa; Shingo Maruyama; Yuji Matsumoto; Momoji Kubo


Chemistry Letters | 2018

Effect of Fluorination on Friction Forces between Concentrated Polymer Brushes in the Dry State: All-atom Molecular Dynamics Simulation Study

Shuichi Uehara; Zhongmin Liu; Jingxiang Xu; Yusuke Ootani; Nobuki Ozawa; Momoji Kubo


Carbon | 2018

Tribochemical reactions and graphitization of diamond-like carbon against alumina give volcano-type temperature dependence of friction coefficients: A tight-binding quantum chemical molecular dynamics simulation

Yang Wang; Jingxiang Xu; Jing Zhang; Qian Chen; Yusuke Ootani; Yuji Higuchi; Nobuki Ozawa; Jean Michel Martin; Koshi Adachi; Momoji Kubo


Journal of Computer Chemistry, Japan | 2017

Parameterization of Reactive Force Field for Iron–Water System

Qian Chen; Jingxiang Xu; Yusuke Ootani; Nobuki Ozawa; Momoji Kubo

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Yoshitaka Tateyama

National Institute for Materials Science

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Liyuan Han

National Institute for Materials Science

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