A5060491556- Electrocatalysts for Energy Conversion
- Catalytic Processes in Materials Science
- Advancements in Solid Oxide Fuel Cells
- Fuel Cells and Related Materials
- Catalysis and Oxidation Reactions
- Machine Learning in Materials Science
- Advanced Chemical Physics Studies
- Semiconductor materials and devices
- Electronic and Structural Properties of Oxides
- ZnO doping and properties
- nanoparticles nucleation surface interactions
- Conducting polymers and applications
- Gas Sensing Nanomaterials and Sensors
- Zeolite Catalysis and Synthesis
- Nanomaterials for catalytic reactions
- Molecular Junctions and Nanostructures
- Luminescence Properties of Advanced Materials
- Hydrogen Storage and Materials
- Electron and X-Ray Spectroscopy Techniques
- Lubricants and Their Additives
- Metal and Thin Film Mechanics
- Advancements in Battery Materials
- Advanced Battery Technologies Research
- Plasma Diagnostics and Applications
- Force Microscopy Techniques and Applications
Shinshu University
2018-2025
Kyoto University
2021-2024
The Open University of Japan
2023
National Institute for Materials Science
2017-2022
Ōtani University
2022
Kyushu University
2012-2021
Knowledge Unlatched (Germany)
2021
Kubota (Japan)
2021
Shibaura Institute of Technology
2021
Gunma University
2014-2021
The compositional space of high-entropy-alloy nanoparticles (HEA NPs) significantly expands the diversity materials library. Every atom in HEA NPs has a different elemental coordination environment, which requires knowledge local electronic structure at an atomic level. However, such not been disclosed experimentally or theoretically. We synthesized composed all eight noble-metal-group elements (NM-HEA) for first time. Their was revealed by hard X-ray photoelectron spectroscopy and density...
In this work, we theoretically investigated the friction mechanism of hexagonal MoS2 (a well-known lamellar compound) using a computational chemistry method. First, determined several parameters for molecular dynamics simulations via accurate quantum calculations and MoS2−xOx structures were successfully reproduced. We also show that simulated Raman spectrum peak shift on X-ray diffraction patterns in good agreement with those experiment. The atomic interactions between sheets studied by...
No need for nobles: The copper-based metal–organic framework material N,N′-bis(2-hydroxyethyl)dithiooxamidatocopper(II) (see picture, Cu pink, N blue, S yellow, O red, C gray, H white) is an active catalyst ethanol electrooxidation. performance of this noble-metal-free comparable to those some reported Pt-based catalysts.
Abstract For the first time, we synthesize solid‐solution alloy nanoparticles of Ir and Cu with a size ca. 2 nm, despite being immiscible in bulk up to their melting over whole composition range. We performed systematic characterization on nature x 1− alloys using powder X‐ray diffraction, scanning transmission electron microscopy coupled energy‐dispersive spectroscopy photoelectron spectroscopy. The results showed that had face‐centered‐cubic structure; charge transfer from occurred...
Overpotential and ac impedance spectra were measured to construct a model describe porous (SSC) cathodes for solid oxide fuel cells (SOFCs). Analysis of the revealed that there are three processes involved in overall electrochemical reaction; (i) adsorption/desorption process on surface electrode, (ii) ionic conduction bulk SSC, (iii) diffusion oxygen gas phase. It was found air atmosphere, reaction dominant, while gaseous fast enough not limit rate. A SSC used SOFCs proposed determine...
High temperature solid oxide cells (SOCs) are attractive for storage and regeneration of renewable energy by operating reversibly in electrolysis cell (SOEC) fuel (SOFC) modes. However, the stability SOCs, particularly deterioration performance oxygen electrodes SOEC operation mode, is most critical issue development high durable SOCs. In this study, we investigate detail electrochemical activity La0.8Sr0.2MnO3 (LSM) cyclic SOFC The results show that LSM caused anodic polarization can be...
Ru is an important catalyst in many types of reactions. Specifically, well known as the best monometallic for oxidation carbon monoxide (CO) and has been practically used residential fuel cell systems. However, a minor metal, supply risk often causes violent fluctuations price Ru. Performance-improved cost-reduced solid-solution alloy nanoparticles Cu-Ru system CO are now presented. Over whole composition range, all Cux Ru1-x exhibit significantly enhanced activities, even at 70 %...
Abstract Since 1970, people have been making every endeavor to reduce toxic emissions from automobiles. After the development of a three‐way catalyst (TWC) that concurrently converts three harmful gases, carbon monoxide (CO), hydrocarbons (HCs), and nitrogen oxides (NO x ), Rh became an essential element in automobile technology because only works efficiently for catalytic NO reduction. However, due sharp price spike 2007, numerous efforts made replace TWCs. Nevertheless, remains...
We have analyzed the crucial factors that stabilize face-centered cubic (fcc) ruthenium nanoparticles (Ru-NPs) using density functional theory method. calculated cohesive energy of decahedral fcc, icosahedral truncated octahedral and hexagonal close-packed (hcp) Ru-NPs with between 55 1557 atoms. The fcc became closer to hcp decreasing number atoms, i.e., particle size. This characteristic is mainly caused by high coordination Ru-NP negative twin boundary for {111}. On other hand, d-band...
Rh is one of the most important noble metals for industrial applications. A major fraction used as a catalyst emission control in automotive catalytic converters because its unparalleled activity toward NOx reduction. However, rare and extremely expensive element; thus, development alternative composed abundant elements desirable. Pd Ru are located at right left periodic table, respectively, nevertheless this combination immiscible bulk state. Here, we report Pd-Ru solid-solution-alloy...
The electronic structure of surface atoms has a great effect on catalytic activity because the binding energy reactants is closely related to structure. Therefore, designing and controlling local density states (LDOS) catalyst would be rational way develop innovative catalysts. Herein, we first demonstrate highly active AuIr solid-solution alloy electrocatalyst for oxygen reduction reaction (ORR) by emulating Pt LDOS profile. calculated Ir Au0.5Ir0.5(111) resembled that Pt(111), resulting in...
The hydrogen spillover mechanism has earned intensive interest in the past decades because it plays a vital role emerging technologies for reduction of NOx automobile exhausts. Hydrogen arises hydrogen-catalyzed reactions on supported metal catalyst. In present study, we applied quantum chemical molecular dynamics (QCMD) to investigate process Pt/γ-Al2O3 catalyst surface first time. direct observation dissociative adsorption and diffusion were successfully investigated. atom gas phase...
To understand the origin of physicochemical nature bimetallic PdPt nanoparticles, we theoretically investigated phase stability and electronic structure employing nanoparticles models consisting 711 atoms (ca. 3 nm). For Pd–Pt core–shell nanoparticle, solid–solution was found to be a thermodynamically stable in nanoparticle as result difference surface energy Pd Pt configurational entropy effect, while it is well known that are immiscible combination bulk phase. The conducted find electron...
To study the atomistic behavior of phosphoric ester molecule on nascent Fe surface under boundary lubrication conditions, we adopted a hybrid tight-binding quantum chemical molecular dynamics method. First, investigated interactions between and surface. Phosphoric was shown to interact with surface, forming both covalent ionic bonds. Formation dissociation bonds during tribochemical reaction clearly observed simulation. The effect friction condition then studied, it indicated that would...
Zinc phosphate glass is considered to be the main constituent of tribofilms generated under boundary lubrication with zinc dialkyldithiophosphate (ZDDP), a well-known antiwear additive. The reaction occurring during friction between glasses and steel native iron oxide layer investigated by both an experimental approach Molecular Dynamics simulations (MD). importance this “tribochemical” in general ZDDP process discussed.