Search Results - "Jono, Ryota"
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The effect of water on colloidal quantum dot solar cells
Published in Nature communications (19-07-2021)“…Almost all surfaces sensitive to the ambient environment are covered by water, whereas the impacts of water on surface-dominated colloidal quantum dot (CQD)…”
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Hysteresis-free perovskite solar cells made of potassium-doped organometal halide perovskite
Published in Scientific reports (22-09-2017)“…Potassium-doped organometal halide perovskite solar cells (PSCs) of more than 20% power conversion efficiency (PCE) without I-V hysteresis were constructed…”
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3
Microstructure of the fluid particles around the rigid body at the shear-thickening state toward understanding of the fluid mechanics
Published in Scientific reports (17-12-2021)“…We studied the shear-thickening behavior of systems containing rigid spherical bodies immersed in smaller particles using non-equilibrium molecular dynamics…”
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Theoretical Study of the Band-gap Differences among Lead Triiodide Perovskite Materials: CsPbI3, MAPbI3, and FAPbI3
Published in Chemistry letters (2019)“…We present a theoretical analysis for the band-gap difference among the cubic lead triiodide perovskite materials by using a NH4+ probe molecule. We show the…”
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5
Self‐Organized Superlattice and Phase Coexistence inside Thin Film Organometal Halide Perovskite
Published in Advanced materials (Weinheim) (22-02-2018)“…Organometal halide perovskites have attracted widespread attention as the most favorable prospective material for photovoltaic technology because of their high…”
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6
Molecular dynamics simulation of carbon nanotube growth under a tensile strain
Published in Scientific reports (07-03-2024)“…We performed molecular dynamics simulations of carbon nanotube (CNT) to elucidate the growth process in the floating catalyst chemical vapor deposition method…”
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Remarkable Dependence of the Final Charge Separation Efficiency on the Donor-Acceptor Interaction in Photoinduced Electron Transfer
Published in Angewandte Chemie International Edition (11-01-2016)“…The unprecedented dependence of final charge separation efficiency as a function of donor–acceptor interaction in covalently‐linked molecules with a…”
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Two Different Lifetimes of Charge Separated States: a Porphyrin–Quinone System in Artificial Photosynthesis
Published in Journal of physical chemistry. C (12-01-2012)“…We investigated the charge separation process of an artificial photosynthesis molecule, zinc porphyrin–benzoquinone (ZnP–BQ) using the ab initio symmetry…”
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Basic Principle of Photoinduced Charge Separation for TiO2–TCNQ Surface Complex Revealed by a Multibody Model
Published in Journal of physical chemistry. C (25-06-2020)“…We found the color variation of the TiO2–TCNQ surface complex showing photoinduced direct charge transfer transitions. The charge separation is achieved at the…”
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Theoretical Study of the Surface Complex between TiO2 and TCNQ Showing Interfacial Charge-Transfer Transitions
Published in The journal of physical chemistry letters (19-05-2011)“…The surface complex of TiO2 nanoparticles and TCNQ was studied using density functional theory (DFT) calculations. The structure of the surface complex was…”
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Energy Alignment of Frontier Orbitals and Suppression of Charge Recombinations in P3HT/SWNT
Published in Journal of physical chemistry. C (25-11-2015)“…Blends of poly(3-hexylthiophene) (P3HT) and single-walled carbon nanotubes (SWNTs) have been studied as promising materials for organic photovoltaic devices…”
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12
Electron Transport in a Dioxygenase-Ferredoxin Complex: Long Range Charge Coupling between the Rieske and Non-Heme Iron Center
Published in PloS one (22-09-2016)“…Dioxygenase (dOx) utilizes stereospecific oxidation on aromatic molecules; consequently, dOx has potential applications in bioremediation and stereospecific…”
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Acetonitrile Solution Effect on Ru N749 Dye Adsorption and Excitation at TiO2 Anatase Interface
Published in Journal of physical chemistry. C (31-07-2014)“…We investigated stable structures and photoexcitation character of Ru N749 dye (black dye (BD)) adsorption to TiO2 anatase (101) interface immersed in bulk…”
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14
Theoretical Verification of Photoelectrochemical Water Oxidation Using Nanocrystalline TiO2 Electrodes
Published in Molecules (Basel, Switzerland) (27-05-2015)“…Mesoscopic anatase nanocrystalline TiO2 (nc-TiO2) electrodes play effective and efficient catalytic roles in photoelectrochemical (PEC) H2O oxidation under…”
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Theoretical Study of Surface Complexes between TiO2 and HeteroTCNQs Showing Interfacial Charge-Transfer Transitions Designed Based on Redox Potential
Published in Bulletin of the Chemical Society of Japan (2015)“…TiO2–heteroTCNQ surface complexes between TiO2 and 2,5-bis(dicyanomethylene)-2,5-dihydrofuran, 2,5-bis(dicyanomethylene)-2,5-dihydrothiophene, and…”
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16
Electronic structure of acetonitrile adsorbed on the anatase TiO2 (101) surface
Published in Chemical physics letters (29-01-2013)“…[Display omitted] ► We explore the electronic states of acetonitrile on the anatase (101) TiO2 surface. ► DFT/HSE06 shows that acetonitrile hybridized with O…”
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17
Multicanonical ab inito QM/MM molecular dynamics simulation of a peptide in an aqueous environment
Published in Journal of computational chemistry (30-04-2010)“…We developed a multicanonical ab initio QM/MM molecular dynamics simulation method to enhance conformational sampling of biomolecules in an aqueous…”
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18
A multicanonical ab initio molecular dynamics method: Application to conformation sampling of alanine tripeptide
Published in Chemical physics letters (04-12-2006)“…We propose a multicanonical ab initio molecular dynamics (AIMD) method for enhanced conformation sampling of biomolecules. This method was applied to a blocked…”
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19
Theoretical Study of the Band-gap Differences among Lead Triiodide Perovskite Materials: CsPbI 3 , MAPbI 3 , and FAPbI 3
Published in Chemistry letters (05-08-2019)Get full text
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20
Remarkable Dependence of the Final Charge Separation Efficiency on the Donor-Acceptor Interaction in Photoinduced Electron Transfer
Published in Angewandte Chemie (11-01-2016)“…The unprecedented dependence of final charge separation efficiency as a function of donor–acceptor interaction in covalently‐linked molecules with a…”
Get full text
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