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Decomposition of the fluoroethylene carbonate additive and the glue effect of lithium fluoride products for the solid electrolyte interphase: an ab initio study

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (12), p.8643-8653

2016

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Additive Effect on Reductive Decomposition and Binding of Carbonate-Based Solvent toward Solid Electrolyte Interphase Formation in Lithium-Ion Battery

Journal of the American Chemical Society, 2013-08, Vol.135 (32), p.11967-11974

2013

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Substituent and Solvent Effects on the Photoisomerization of Cinnamate Derivatives: An XMS-CASPT2 Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-02, Vol.126 (4), p.497-505

2022

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Near-Shore Aggregation Mechanism of Electrolyte Decomposition Products to Explain Solid Electrolyte Interphase Formation

Journal of the Electrochemical Society, 2015, Vol.162 (14), p.A2670-A2678

2015

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Deep variational quantum eigensolver for excited states and its application to quantum chemistry calculation of periodic materials

Physical review research, 2021-11, Vol.3 (4), Article 043121

2021

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First Principles Calculation Study of the Origin of the Tetragonal Structure of BiCoO3

Jpn J Appl Phys, 2010-09, Vol.49 (9), p.09ME08-09ME08-6

Okuno, Yukihiro

2010

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Estimation of Piezoelectric Response Using Maximally Localized Wannier Function and Its Application to the Bismuth-Based Ferroelectric Materials

Japanese Journal of Applied Physics, 2011-10, Vol.50 (10), p.101503-101503-7

2011

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Estimation of Piezoelectric Response Using Maximally Localized Wannier Function and Its Application to the Bismuth-Based Ferroelectric Materials

Japanese Journal of Applied Physics, 2011-10, Vol.50 (10R), p.101503

2011

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Structures, Electronic States, and Reactions at Interfaces between LiNi0.5Mn1.5O4 Cathode and Ethylene Carbonate Electrolyte: A First-Principles Study

Journal of physical chemistry. C, 2019-01, Vol.123 (4), p.2267-2277

2019

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First-Principles Study of Multiterminal Quantum Interference Controlled Molecular Devices

Journal of physical chemistry. C, 2013-01, Vol.117 (1), p.100-109

2013

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Structures, Electronic States, and Reactions at Interfaces between LiNi 0.5 Mn 1.5 O 4 Cathode and Ethylene Carbonate Electrolyte: A First-Principles Study

Journal of physical chemistry. C, 2019-01, Vol.123 (4), p.2267-2277

2019

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Comparative Study on Sulfide and Oxide Electrolyte Interfaces with Cathodes in All-Solid-State Battery via First-Principles Calculations

ACS applied energy materials, 2020-11, Vol.3 (11), p.11061-11072

2020

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Li deposition and desolvation with electron transfer at a silicon/propylene-carbonate interface: transition-state and free-energy profiles by large-scale first-principles molecular dynamics

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (17), p.11586-11591

2018

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Angle Dependence of Nematic Liquid Crystal Dynamics with Conical Boundary Condition

Japanese Journal of Applied Physics, 2008-06, Vol.47 (6R), p.4643

2008

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Current Patterns and Magnetic Impurities in Time-Reversal Breaking Superconductors

Journal of the Physical Society of Japan, 2000, Vol.69 (3), p.858-867

Okuno, Yukihiro

2000

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Decomposition of the fluoroethylene carbonate additive and the glue effect of lithium fluoride products for the solid electrolyte interphase: an ab initio studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp07583a

2016-03

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Decomposition of the fluoroethylene carbonate additive and the glue effect of lithium fluoride products for the solid electrolyte interphase: an ab initiostudy

Physical chemistry chemical physics : PCCP, 2016-03, Vol.18 (12), p.8643-8653

2016

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Li deposition and desolvation with electron transfer at a silicon/propylene-carbonate interface: transition-state and free-energy profiles by large-scale first-principles molecular dynamicsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp08569a

2018-05

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Comparisons of Piezoelectricities of Lead Zirconate Titanate for Various Phases by a First-Principles Method

Japanese Journal of Applied Physics, 2007-08, Vol.46 (8R), p.5199

2007

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First Principles Calculation Study of the Origin of the Tetragonal Structure of BiCoO 3

Japanese Journal of Applied Physics, 2010-09, Vol.49 (9S), p.9

2010

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Born Effective Charges and Piezoelectric Coefficients of BiXO 3

Japanese Journal of Applied Physics, 2009-09, Vol.48 (9), p.9

2009

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Effective Hamiltonian Approach to Studying the Field-Induced Structural Phase Transition of BaTiO 3

Japanese Journal of Applied Physics, 2009-02, Vol.48 (2R), p.21403

2009

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Renormalized Perturbation Approach for Examination of Itinerant-Localized Duality Model for Strongly Correlated Electron Systems

Journal of the Physical Society of Japan, 1997-08, Vol.66 (8), p.2389-2398

1997

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Anomalous Magnetism of UPt 3 : The Possibility of Oscillating Antiferromagnetic Moment

Journal of the Physical Society of Japan, 1998-10, Vol.67 (10), p.3342-3345

1998

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Induced-Moment Weak Antiferromagnetism and Orbital Order on the Itinerant-Localized Duality Model with Nested Fermi Surface : A Possible Origin of Exotic Magnetism in URu 2 Si 2

Journal of the Physical Society of Japan, 1998-07, Vol.67 (7), p.2469-2476

1998

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Decomposition of the fluoroethylene carbonate additive and the glue effect of lithium fluoride products for the solid electrolyte interphase: an ab initio study

Additive Effect on Reductive Decomposition and Binding of Carbonate-Based Solvent toward Solid Electrolyte Interphase Formation in Lithium-Ion Battery

Substituent and Solvent Effects on the Photoisomerization of Cinnamate Derivatives: An XMS-CASPT2 Study

Near-Shore Aggregation Mechanism of Electrolyte Decomposition Products to Explain Solid Electrolyte Interphase Formation

Deep variational quantum eigensolver for excited states and its application to quantum chemistry calculation of periodic materials

First Principles Calculation Study of the Origin of the Tetragonal Structure of BiCoO3

Estimation of Piezoelectric Response Using Maximally Localized Wannier Function and Its Application to the Bismuth-Based Ferroelectric Materials

Estimation of Piezoelectric Response Using Maximally Localized Wannier Function and Its Application to the Bismuth-Based Ferroelectric Materials

Structures, Electronic States, and Reactions at Interfaces between LiNi0.5Mn1.5O4 Cathode and Ethylene Carbonate Electrolyte: A First-Principles Study

First-Principles Study of Multiterminal Quantum Interference Controlled Molecular Devices

Structures, Electronic States, and Reactions at Interfaces between LiNi 0.5 Mn 1.5 O 4 Cathode and Ethylene Carbonate Electrolyte: A First-Principles Study

Comparative Study on Sulfide and Oxide Electrolyte Interfaces with Cathodes in All-Solid-State Battery via First-Principles Calculations

Li deposition and desolvation with electron transfer at a silicon/propylene-carbonate interface: transition-state and free-energy profiles by large-scale first-principles molecular dynamics

Angle Dependence of Nematic Liquid Crystal Dynamics with Conical Boundary Condition

Current Patterns and Magnetic Impurities in Time-Reversal Breaking Superconductors

Decomposition of the fluoroethylene carbonate additive and the glue effect of lithium fluoride products for the solid electrolyte interphase: an ab initio studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp07583a

Decomposition of the fluoroethylene carbonate additive and the glue effect of lithium fluoride products for the solid electrolyte interphase: an ab initiostudy

Li deposition and desolvation with electron transfer at a silicon/propylene-carbonate interface: transition-state and free-energy profiles by large-scale first-principles molecular dynamicsElectronic supplementary information (ESI) available. See DOI: 10.1039/c7cp08569a

Comparisons of Piezoelectricities of Lead Zirconate Titanate for Various Phases by a First-Principles Method

First Principles Calculation Study of the Origin of the Tetragonal Structure of BiCoO 3

Born Effective Charges and Piezoelectric Coefficients of BiXO 3

Effective Hamiltonian Approach to Studying the Field-Induced Structural Phase Transition of BaTiO 3

Renormalized Perturbation Approach for Examination of Itinerant-Localized Duality Model for Strongly Correlated Electron Systems

Anomalous Magnetism of UPt 3 : The Possibility of Oscillating Antiferromagnetic Moment

Induced-Moment Weak Antiferromagnetism and Orbital Order on the Itinerant-Localized Duality Model with Nested Fermi Surface : A Possible Origin of Exotic Magnetism in URu 2 Si 2

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