Search Results - "Shimoi, Yukihiro"
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Temperature-Dependent Evolution of Raman Spectra of Methylammonium Lead Halide Perovskites, CH₃NH₃PbX₃ (X = I, Br)
Published in Molecules (Basel, Switzerland) (11-02-2019)“…We present a Raman study on the phase transitions of organic/inorganic hybrid perovskite materials, CH₃NH₃PbX₃ (X = I, Br), which are used as solar cells with…”
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Simulation Study of the Effects of Nanoporous Structures on Mechanical Properties at Polymer–Metal Interfaces
Published in The journal of physical chemistry. B (07-02-2019)“…We investigated the effect of nanopores on the adhesion behavior at polymer–metal interfaces by molecular dynamics simulation. The effects of shear and…”
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Highly Efficient Microscopic Charge Transport within Crystalline Domains in a Furan‐Flanked Diketopyrrolopyrrole‐Based Conjugated Copolymer
Published in Advanced functional materials (01-06-2020)“…Elucidating the interrelation between the molecular structure and charge transport properties in conjugated polymer thin films is an essential issue in…”
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Thermoelectric properties of a semicrystalline polymer doped beyond the insulator-to-metal transition by electrolyte gating
Published in Science advances (14-02-2020)“…Conducting polymer thin films containing inherent structural disorder exhibit complicated electronic, transport, and thermoelectric properties. The…”
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Structures and Fluorescence Properties for the Crystals, Powders, and Thin Films of Dithienylhexatrienes: Effects of Positional Isomerism
Published in Crystal growth & design (07-11-2018)“…We investigated the structures and fluorescence properties for the crystals, powders, and thin films of the two positional isomers of dithienylpolyene,…”
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Low-temperature carrier dynamics in high-mobility organic transistors of alkylated dinaphtho-thienothiophene as investigated by electron spin resonance
Published in Applied physics letters (21-07-2014)“…Charge carriers in high-mobility organic thin-film transistors of alkylated dinaphtho-thienothiophene (C10-DNTT) have been directly observed by field-induced…”
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Direct observation of spins at bathocuproine (BCP) interfaces: An electron spin resonance study on BCP/metal (Al or Au) thin films
Published in Chemical physics letters (27-06-2014)“…[Display omitted] •We report ESR study of layered thin films of bathocuproine (BCP) and metal (Al or Au).•Clear ESR signal is observed due to gap states at the…”
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Activation of N2 by isolated small tungsten clusters at room temperature
Published in Chemical physics letters (01-01-2017)“…[Display omitted] •Reactions of N2 with H2O on gas-phase small tungsten clusters Wn+ (n=3–5) yielding N2O were observed at room temperature.•N2 is activated by…”
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Theoretical Study of the Mechanism for the Reaction of Trimethylaluminum with Ozone
Published in ACS omega (12-10-2021)“…The mechanism for the reaction of trimethylaluminum (TMA, Al(CH3)3) with ozone (O3) was investigated in detail using density functional theory calculations to…”
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Fluorescence Properties of (E,E,E)‑1,6-Di(n‑naphthyl)-1,3,5-hexatriene (n = 1, 2): Effects of Internal Rotation
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (24-01-2013)“…The fluorescence spectroscopic properties of (E,E,E)-1,6-di(n-naphthyl)-1,3,5-hexatrienes (1, n = 1; 2, n = 2) have been investigated in solution and in the…”
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Theoretical prediction of crystal structures of rubrene
Published in Japanese Journal of Applied Physics (01-01-2014)“…We theoretically predict crystal structures and molecular arrangements for rubrene molecule using CONFLEX program and compare them with the experimental ones…”
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Microscopic observation of efficient charge transport processes across domain boundaries in donor-acceptor-type conjugated polymers
Published in Communications physics (19-08-2019)“…Backbone rigidity of conjugated polymers is suggested to play an essential role in realizing high-mobility transistors through the efficient interconnection of…”
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Tight-Binding Study of Polarons in Two-Dimensional Systems: Implications for Organic Field-Effect Transistor Materials
Published in Journal of the Physical Society of Japan (01-03-2011)“…In order to understand the electronic and transport properties of organic field-effect transistor (FET) materials, we theoretically studied the polarons in…”
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Electron spin resonance of thin films of organic light-emitting material tris(8-hydroxyquinoline) aluminum doped by magnesium
Published in Synthetic metals (01-12-2012)“…ESR spectra of Mg-doped Alq3 thin films (left figure) and spin density distribution profile of an (Alq3)− calculated at the B3LYP/6-31G(d) level. Solid and…”
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Strong Electron Correlation in the High-Temperature Phase of (EDO-TTF)2PF6 as a Quasi-One-Dimensional Molecular Conductor
Published in Journal of the Physical Society of Japan (01-10-2010)“…We focus on the electronic property of the high-temperature phase of (EDO-TTF) 2 PF 6 . Applying a cluster-based density-functional theory (DFT) calculation…”
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Nickel(II) complexes bearing a pincer ligand containing thioamide units: Comparison between SNS- and SCS-pincer ligands
Published in Inorganica Chimica Acta (10-08-2010)“…Two types of pincer nickel(II) complexes bearing a κ 3SNS pincer ligand and a κ 3SCS-pincer ligand were synthesized, and their electrochemical properties were…”
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Electron Spin Resonance of Thin Films of N,N′-Di(1-naphthyl)-N,N′-diphenylbenzidine (NPB) Doped by Iodine Vapor
Published in Chemistry letters (05-02-2012)“…We have successfully observed the ESR signals of radical cations in the thin films of N,N′-di(1-naphthyl)-N,N′-diphenylbenzidine (NPB), typical hole-transport…”
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Direct Observation of Charge Carriers in Highly Magnesium-Doped Tris(8-hydroxyquinoline) Aluminum Thin Film by Electron Spin Resonance
Published in Japanese Journal of Applied Physics (01-05-2013)“…We report on an electron spin resonance (ESR) study of a tris(8-hydroxyquinoline) aluminum (Alq 3 ) thin film doped highly with Mg. We observed a clear ESR…”
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Density functional theory of chlorine-bridged platinum complexes : Monomer, chain, and two-leg ladders
Published in Journal of the Physical Society of Japan (01-06-2007)Get full text
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