Yoshitaka Tateyama 研究室

主宰者：Yoshitaka Tateyama

東京工業大学

AI 要約（直近 5 年の研究成果）

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研究成果（76 件）

[2026] Interplay of Hydration and Framework Dynamics for Na + Diffusion in Defect-Free Mn-Based Prussian Blue Analogues: First-Principles Calculations
DOI: https://doi.org/10.1021/acs.chemmater.5c02436
[2026] Multiscale insights into sodium storage in hard carbon from operando small- and wide-angle neutron scattering measurements
DOI: https://doi.org/10.1039/d5sc09600f
[2026] Effect of Linear versus Loop Topology on Antifouling Performance of Zwitterionic Brushes
DOI: https://doi.org/10.1021/acsanm.6c01331
[2026] Defect Electrochemistry in Stabilizing Corrugated Layered NaMnO 2
DOI: https://doi.org/10.1021/jacs.5c19128
[2025] Dissimilar Diffusion Mechanisms of Li+, Na+, and K+ Ions in Anhydrous Fe-Based Prussian Blue Cathode
DOI: https://doi.org/10.1021/jacs.5c05274
[2025] Capacity Estimation and Knee Point Prediction Using Electrochemical Impedance Spectroscopy for Lithium Metal Battery Degradation via Machine Learning
DOI: https://doi.org/10.1002/advs.202502336
[2025] Global Trends in Battery Research and Development: The Contribution of the Center for Advanced Battery Collaboration
DOI: https://doi.org/10.5796/electrochemistry.25-71059
[2025] Microstructure-controlled Li ion conductive oxide–based ceramic solid electrolytes supporting high current densities
DOI: https://doi.org/10.1016/j.electacta.2025.146233
[2025] Simultaneous migration mechanism of Co-O couple toward spinel-like Co3O4 formation on LixCoO2 surfaces
DOI: https://doi.org/10.1016/j.jpowsour.2025.236854
[2025] Investigating the Interface of Li{N(SO 2 F) 2 }(NCCH 2 CH 2 CN) 2 Molecular Crystal Electrolytes for 5 V Class Solid-State Batteries
DOI: https://doi.org/10.1021/acsami.4c22076

続きを表示（残り 66 件）

[2025] Ion diffusion driven by dynamic lattice deformations in perovskite solid electrolytes
DOI: https://doi.org/10.1039/d5ta03232f
[2025] Constant-Current Nonequilibrium Molecular Dynamics Approach for Accelerated Computation of Ionic Conductivity Including Ion-Ion Correlation
DOI: https://doi.org/10.1103/prxenergy.4.013005
[2025] Unveiling Dominant Processes of Na Cluster Formation and Na‐Ion Diffusion in Hard Carbon Nano‐Pore: A DFT‐MD Study
DOI: https://doi.org/10.1002/aenm.202505227
[2025] First‐Principles Study on the Interfacial Cathode‐Contact Stability and Li Diffusivity of N‐Doped Li 6 Zr 2 O 7 for All‐Solid‐State Li‐Ion Batteries
DOI: https://doi.org/10.1002/smtd.202501289
[2025] Synthesis and Electrochemistry of Stacking Fault‐Free β ‐NaMnO 2
DOI: https://doi.org/10.1002/adma.202507011
[2024] Unified understanding and mitigation of detrimental phase transition in cobalt-free LiNiO2
DOI: https://doi.org/10.1016/j.ensm.2024.103200
[2024] Dual influence of protonation on Li-ion transport in garnet solid electrolytes: A first-principles study
DOI: https://doi.org/10.1016/j.jpowsour.2024.235906
[2024] Proton Intercalation of Mo3Nb2O14 Anode for Aqueous Batteries
DOI: https://doi.org/10.1149/ma2024-0291341mtgabs
[2024] Computational Study of Amorphous LiNb0.5P0.5O3 Cathode Coating Material Utilizing Universal Machine Learning Potential
DOI: https://doi.org/10.1149/ma2024-0281138mtgabs
[2024] Predicting Cycle Life of Lithium Metal Batteries Using Discharge/Charge Capacity and Voltage Relaxation Features Via Machine Learning
DOI: https://doi.org/10.1149/ma2024-023391mtgabs
[2024] Predicting Room‐Temperature Conductivity of Na‐Ion Super Ionic Conductors with the Minimal Number of Easily‐Accessible Descriptors
DOI: https://doi.org/10.1002/aesr.202400158
[2024] Proton Intercalation into an Open‐Tunnel Bronze Phase with Near‐Zero Volume Change
DOI: https://doi.org/10.1002/anie.202410971
[2024] Proton Intercalation into an Open‐Tunnel Bronze Phase with Near‐Zero Volume Change
DOI: https://doi.org/10.1002/ange.202410971
[2024] LiNbO3 and LiTaO3 Coating Effects on the Interface of the LiCoO2 Cathode: A DFT Study of Li-Ion Transport
DOI: https://doi.org/10.1021/acsami.4c05737
[2024] Data‐Driven Cycle Life Prediction of Lithium Metal‐Based Rechargeable Battery Based on Discharge/Charge Capacity and Relaxation Features
DOI: https://doi.org/10.1002/advs.202402608
[2024] Computational discovery of stable Na-ion sulfide solid electrolytes with high conductivity at room temperature
DOI: https://doi.org/10.1039/d4ta02522a
[2023] Glyme Solvent Decomposition on Spinel Cathode Surface in Magnesium Battery
DOI: https://doi.org/10.1021/acsenergylett.3c01084
[2023] First-Principles Study on the Interplay of Strain and State-of-Charge with Li-Ion Diffusion in the Battery Cathode Material LiCoO2
DOI: https://doi.org/10.1021/acsami.3c14444
[2023] 非平衡MD法による固体電解質のイオン相関を考慮したイオン伝導度計算の高速化
[2023] Multiobjective Solid Electrolyte Design of Tetragonal and Cubic Inverse-Perovskites for All-Solid-State Lithium-Ion Batteries by High-Throughput Density Functional Theory Calculations and AI-Driven Methods
DOI: https://doi.org/10.1021/acs.jpcc.3c02801
[2023] Theoretical Prediction and High-Pressure Synthesis of New LISICON-Type Solid-State Electrolyte Li2.75[B0.625P0.125S0.25]O3.375
DOI: https://doi.org/10.1021/acs.jpcc.3c02842
[2023] Exploration of Organic Cathode Active Materials with High Energy Densities for Li-Ion Batteries via First-Principles Calculations
DOI: https://doi.org/10.1021/acs.jpcc.3c02131
[2023] EwaldSolidSolution: A High-Throughput Application to Quickly Sample Stable Site Arrangements for Ionic Solid Solutions
DOI: https://doi.org/10.1021/acs.jpca.3c00076
[2023] 結晶構造に基づく電気化学的水素製造用卑金属触媒の効率設計
[2023] Toward Improved Anodic Stability of Ether-Based Electrolytes for Rechargeable Magnesium Batteries
DOI: https://doi.org/10.1021/acs.jpcc.3c01452
[2023] 第一原理計算を基軸とした高イオン伝導度固体電解質のハイスループット探索と記述子抽出
[2023] Nonequilibrium molecular dynamics for accelerated computation of ion–ion correlated conductivity beyond Nernst–Einstein limitation
DOI: https://doi.org/10.1038/s41524-023-00996-8
[2023] Evaluation of battery positive-electrode performance with simultaneous ab-initio calculations of both electronic and ionic conductivities
DOI: https://doi.org/10.1016/j.jpowsour.2023.232969
[2023] Nonequilibrium molecular dynamics for accelerated computation of ion–ion correlated conductivity beyond Nernst–Einstein limitation
[2023] Lithium Ion Transport Environment by Molecular Vibrations in Ion‐Conducting Glasses
DOI: https://doi.org/10.1002/eem2.12612
[2023] Lithium dynamics at grain boundaries of β-Li 3 PS 4 solid electrolyte
DOI: https://doi.org/10.1039/d3ya00234a
[2022] High‐Throughput Data‐Driven Prediction of Stable High‐Performance Na‐Ion Sulfide Solid Electrolytes
DOI: https://doi.org/10.1002/adfm.202212188
[2022] Favorable Role of the Metal–Support Perimeter Region in Electrochemical NH3 Synthesis: A Density Functional Theory Study on Ru/BaCeO3
DOI: https://doi.org/10.1021/acsomega.2c01222
[2022] Favorable Role of Metal–Support Interaction in Electrochemical NH3 Synthesis: A Density Functional Theory Study on Ru/BaCeO3
[2022] Atomistic insight into the dopant impacts at the garnet Li 7 La 3 Zr 2 O 12 solid electrolyte grain boundaries
DOI: https://doi.org/10.1039/d2ta00545j
[2022] Microwave assisted preparation of LiFePO4/C coated LiMn1.6Ni0.4O4 for Li-ion batteries with superior electrochemical properties
DOI: https://doi.org/10.1016/j.apmt.2022.101697
[2022] Crystal Structure-Controlled Electrocatalysis on Iron-Based Oxides Toward Oxygen Evolution in Alkaline Media: Trend and Mechanism
DOI: https://doi.org/10.1149/ma2022-02441689mtgabs
[2022] Crystal Structure-Controlled Electrocatalysis on Iron-Based Oxides Toward Oxygen Evolution in Alkaline Media: Trend and Mechanism
[2022] High‐Throughput Data‐Driven Prediction of Stable High‐Performance Na‐Ion Sulfide Solid Electrolytes
DOI: https://doi.org/10.1002/adfm.202206036
[2022] Tuning the Electronic, Ion Transport, and Stability Properties of Li-rich Manganese-based Oxide Materials with Oxide Perovskite Coatings: A First-Principles Computational Study
DOI: https://doi.org/10.1021/acsami.2c07560
[2021] Li+ Transport Mechanism at the Heterogeneous Cathode/Solid Electrolyte Interface in an All-Solid-State Battery via the First-Principles Structure Prediction Scheme
DOI: https://doi.org/10.7567/ssdm.2021.f-2-01
[2021] Localized Graphitization on Diamond Surface as a Manifestation of Dopants
DOI: https://doi.org/10.1002/adma.202103250
[2021] Chemical Vapor Deposition: Tunable Doping of Rhenium and Vanadium into Transition Metal Dichalcogenides for Two‐Dimensional Electronics (Adv. Sci. 11/2021)
DOI: https://doi.org/10.1002/advs.202170059
[2021] On‐Surface Synthesis of Porphyrin‐Complex Multi‐Block Co‐Oligomers by Defluorinative Coupling
DOI: https://doi.org/10.1002/ange.202114697
[2021] First-Principles DFT Study on Inverse Ruddlesden–Popper Tetragonal Compounds as Solid Electrolytes for All-Solid-State Li+-Ion Batteries
DOI: https://doi.org/10.1021/acs.chemmater.1c00124
[2021] Computational Investigation on the Role of Aliovalent Cation Dopants to the Na+ Ion Superionic Conductivity of Na3SbS4 Solid Electrolytes By Density Functional Theory Methods
DOI: https://doi.org/10.1149/ma2021-023257mtgabs
[2021] Nanometer-size Na cluster formation in micropore of hard carbon as origin of higher-capacity Na-ion battery
DOI: https://doi.org/10.1038/s41524-021-00515-7
[2021] Tunable Doping of Rhenium and Vanadium into Transition Metal Dichalcogenides for Two‐Dimensional Electronics
DOI: https://doi.org/10.1002/advs.202004438
[2021] Kinetic Control of the Li0.9Mn1.6Ni0.4O4 Spinel Structure with Enhanced Electrochemical Performance
DOI: https://doi.org/10.1021/acsami.0c17886
[2021] First-Principles Study of Microscopic Electrochemistry at the LiCoO2 Cathode/LiNbO3 Coating/β-Li3PS4 Solid Electrolyte Interfaces in an All-Solid-State Battery
DOI: https://doi.org/10.1021/acsami.0c19091
[2021] スクシノニトリル系分子結晶電解質の高速リチウムイオン伝導機構の分子動力学解析
[2021] A First-Principles Microkinetics for Homogeneous–Heterogeneous Reactions: Application to Oxidative Coupling of Methane Catalyzed by Magnesium Oxide
DOI: https://doi.org/10.1021/acscatal.0c04104
[2021] Efficient Oxygen Evolution Electrocatalysis on CaFe2O4 and Its Reaction Mechanism
DOI: https://doi.org/10.1021/acsaem.0c02710
[2021] Efficient Oxygen Evolution Electrocatalysis on CaFe2O4 and Its Reaction Mechanism
[2021] Advanced ab-initio calculation studies on heterogeneous catalytic reactions
[2021] Remarkable electrochemical and ion-transport characteristics of magnesium-fluorinated alkoxyaluminate–diglyme electrolytes for magnesium batteries
DOI: https://doi.org/10.1039/d1ma00448d
[2021] Boron position-dependent surface reconstruction and electronic states of boron-doped diamond(111) surfaces: an ab initio study
DOI: https://doi.org/10.1039/d1cp00689d
[2021] Peculiarly fast Li-ion conduction mechanism in a succinonitrile-based molecular crystal electrolyte: a molecular dynamics study
DOI: https://doi.org/10.1039/d1ta02809j
[2021] Tuning the performance of a Mg negative electrode through grain boundaries and alloying toward the realization of Mg batteries
DOI: https://doi.org/10.1039/d1ta02419a
[2021] High-Pressure Synthesis and Lithium-Ion Conduction of Li4OBr2 Derivatives with a Layered Inverse-Perovskite Structure
DOI: https://doi.org/10.1021/acs.chemmater.1c02713
[2021] STEM-EELS Spectrum Imaging of an Aerosol-Deposited NASICON-Type LATP Solid Electrolyte and LCO Cathode Interface
DOI: https://doi.org/10.1021/acsaem.1c02512
[2021] Revealing Atomic‐Scale Ionic Stability and Transport around Grain Boundaries of Garnet Li7La3Zr2O12 Solid Electrolyte
DOI: https://doi.org/10.1002/aenm.202102151
[2021] Theoretical study on stability and ion transport property with halide doping of Na 3 SbS 4 electrolyte for all-solid-state batteries
DOI: https://doi.org/10.1039/d1ta07292g
[2021] On‐Surface Synthesis of Porphyrin‐Complex Multi‐Block Co‐Oligomers by Defluorinative Coupling
DOI: https://doi.org/10.1002/anie.202114697
[2021] 分子動力学法による Li{N(SO2F)2}(NCCH2CH2CN)2有機結晶電解質の高速リチウムイオン伝導機構の解明
[2021] Mixed-Salt Enhanced Chemical Vapor Deposition of Two-Dimensional Transition Metal Dichalcogenides
DOI: https://doi.org/10.1021/acs.chemmater.1c01652

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AI 要約（直近 5 年の研究成果）

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