Kenta Hongo 研究室

主宰者：Kenta Hongo

北陸先端科学技術大学院大学

AI 要約（直近 5 年の研究成果）

本研究室は、材料の電子的性質や反応性を理論計算と実験を組み合わせて解明する研究に取り組んでいます。主な研究の問いは、金属と半導体の界面での電子的障壁をいかに制御するか、化学反応をいかに効率的に進めるか、そして新規な物性を持つ材料をいかに設計・発見するかといった点にあります。具体的には、次世代電子デバイスに用いられる遷移金属化合物の接触特性改善、有害気体の検出センサーの開発、環境負荷低減に関わる化学反応の触媒設計などを対象としています。実験手法としては、水熱合成法などの材料合成と分光測定を採用し、同時に第一原理計算という量子力学に基づく理論計算を活用しています。これにより、材料の原子レベルでの構造と電子状態の関係を詳しく調べ、物質の性質がどのような原子配置や元素の組み合わせで決まるのかを解き明かしています。さらに機械学習を用いて、大量のデータから新しい物質を予測する研究も進めています。主要な発見としては、不純物の添加や界面の間隔調整により、材料の電子特性が劇的に変わることが報告されています。また、複数の元素を協調的に組み合わせることで、単独の元素では達成できない性能向上が可能であることが明らかになっています。これらの知見は、より高性能なデバイスや環境技術の開発につながる基礎となっています。

※ AI（Claude）が、公開されている論文要旨から研究の問い・手法・主要な発見を事実情報として抽出・再構成して自動生成しています。誤りを含む可能性があるため、正確性は研究室公式情報でご確認ください。

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研究成果（84 件）

[2026] Turning Waste into Value: Photocatalytic Conversion of Methane to Methanol Using NiO/TiO 2 Catalyst Derived from Spent Ni–Cd Batteries
DOI: https://doi.org/10.1002/cssc.70738
[2026] The Design of Metal Ion‐Induced Dimers Suggestive of 3D Domain Swapping
DOI: https://doi.org/10.1002/cbic.70363
[2026] Mechanism of NO reduction to NH3 on Fe single- and double-atom catalyst active sites supported at graphitic edges: A first-principles study
DOI: https://doi.org/10.1016/j.fuel.2026.139398
[2026] Stable HCP high-entropy alloys identified by knowledge-based screening and valence electron concentration criteria
DOI: https://doi.org/10.1016/j.commatsci.2026.114584
[2026] Superior Room-Temperature Gas Sensing Performance of Belt-like VO 2 (B) over 1D V 2 O 5 Nanofibers
DOI: https://doi.org/10.1021/acssensors.5c03743
[2026] First-principles study of distance-dependent electronic coupling in TMD–metal interfaces
DOI: https://doi.org/10.1016/j.commatsci.2026.114512
[2026] Empowering neural network-based quantum Monte Carlo with local pseudopotentials
DOI: https://doi.org/10.1038/s43588-026-01008-7
[2026] Dopant induced variation in electronic structure, crystal structure, and electrical properties in VO2: Correlation between theory and experiment
DOI: https://doi.org/10.1016/j.jallcom.2026.189095
[2026] Transport-regime reconstruction across the α – β phase transition in Ag 2 Te near the Mott–Ioffe–Regel limit and thermoelectric performance enhancement
DOI: https://doi.org/10.35848/1347-4065/ae73d4
[2025] Ab initio screening for BCS-type superconductivity in ThCr2Si2-type compounds
DOI: https://doi.org/10.1088/1402-4896/adf420

続きを表示（残り 74 件）

[2025] Valence electron concentration-dependent stability of L1 <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si22.svg" display="inline" id="d1e229"> <mml:msub> <mml:mrow/> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> </mml:msub> </mml:math> , D023, and D022 ordered phases in high-entropy alloys
DOI: https://doi.org/10.1016/j.commatsci.2025.114114
[2025] Valence electron concentration-dependent stability of L12, D023, and D022 ordered phases in high-entropy alloys
[2025] Metal-Reduction-Triggered Red Luminescence Quenching in Eu3+-Doped Bi2MoO6 Nanophosphors for H2S Gas Detection
DOI: https://doi.org/10.1021/acsanm.5c01752
[2025] Hand Milling Induced Phase Transition for Marcasite-type Carbodiimide
DOI: https://doi.org/10.1021/jacs.5c00962
[2025] Kinetic effects of ball-milling precursors on the synthesis pathway of KSbF4
DOI: https://doi.org/10.1016/j.ceramint.2025.05.096
[2025] Physics-Informed Data-Driven Discovery of Polymer Crystals with High Thermal Conductivity
DOI: https://doi.org/10.1021/acsapm.4c03165
[2025] Stability and Electronic Properties of SnS/ZnS Interfaces: A First-Principles Investigation
DOI: https://doi.org/10.1021/acs.jpcc.4c06319
[2025] Superconductivity in o-MAX phases
DOI: https://doi.org/10.1039/d4nr04231j
[2025] High-pressure phase transition of tetragonal BaNCN
DOI: https://doi.org/10.1016/j.solidstatesciences.2025.108188
[2025] Prediction of Phase Formation in Layered Perovskite Arsenic Fluorides
DOI: https://doi.org/10.1088/1742-6596/3054/1/012004
[2025] Facet-specific nitrogen vacancy engineering in BaMO2N (M = Ta, Nb) for enhanced electrochemical ammonia production: Insights from first-principles calculations
DOI: https://doi.org/10.1016/j.mtcata.2025.100125
[2025] Two-step W and N co-doping in VO2: Synergistically reducing phase transition temperature while enhancing thermochromic performance
DOI: https://doi.org/10.1016/j.cej.2025.167980
[2025] Prediction of superconductivity in Haeckelite compounds using first-principles calculations
DOI: https://doi.org/10.1016/j.isci.2025.113219
[2024] Multiemission of Ce3+ from a Single Crystallographic Site Induced by Disordering of Ions
DOI: https://doi.org/10.1021/acs.inorgchem.3c03789
[2024] Key Role of Metal-to-Metal Charge Transfer Transition between Mo6+ and Bi3+ for Enhancement in NIR Luminescence of Gd2MoO6:Bi,Yb Nanophosphor
DOI: https://doi.org/10.1021/acs.jpcc.3c07501
[2024] (La,Th)H10: Potential High-Tc (242 K) Superconductors Stabilized Thermodynamically below 200 GPa
DOI: https://doi.org/10.1021/acs.jpcc.3c07213
[2024] Theoretical Insights into High-Tc Superconductivity of Structurally Ordered YThH18: A First-Principles Study
DOI: https://doi.org/10.1021/acsomega.4c07199
[2024] Using reinforcement learning to autonomously identify sources of error for agents in group missions
DOI: https://doi.org/10.3389/fcteg.2024.1402621
[2024] Solid-liquid phase boundary of oxide solid solutions using neural network potentials
DOI: https://doi.org/10.1016/j.jallcom.2024.176227
[2024] Computational study of the structural, mechanical, electronic, optical and thermal properties of BaLiX (X =P, As, Sb) perovskites
DOI: https://doi.org/10.1016/j.physb.2024.416387
[2024] Ca substitution effects on structure transformation and physical properties of (Eu,Ca)FeAs2 co-doped with La and Co
DOI: https://doi.org/10.1016/j.ceramint.2024.07.374
[2024] Enhancing MnBi2Te4 Stability by Doping
DOI: https://doi.org/10.1021/acs.jpcc.4c00848
[2024] Substitutional Doping Strategies for Fermi Level Depinning and Enhanced Interface Quality in WS2-Metal Contacts
DOI: https://doi.org/10.1021/acsaelm.4c00609
[2023] Recognition of Spatial Finiteness in Meniscus Splitting Based on Evaporative Interface Fluctuations
DOI: https://doi.org/10.1002/admi.202300510
[2023] First-Principles Investigation of Stability and Superconductivity in Ternary Yttrium–Praseodymium Hydrides under High Pressure
DOI: https://doi.org/10.1021/acs.jpcc.3c02968
[2023] Locality error free effective core potentials for 3d transition metal elements developed for the diffusion Monte Carlo method
DOI: https://doi.org/10.1063/5.0175381
[2023] Single crystal growth and physical properties of La, Co doped (Eu,Ca)FeAs2
DOI: https://doi.org/10.1016/j.jcrysgro.2023.127547
[2023] Recognition of Spatial Finiteness in Meniscus Splitting Based on Evaporative Interface Fluctuations (Adv. Mater. Interfaces 34/2023)
DOI: https://doi.org/10.1002/admi.202370096
[2023] Stiffer Bonding of Armchair Edge in Single‐Layer Molybdenum Disulfide Nanoribbons
DOI: https://doi.org/10.1002/advs.202303477
[2023] Structure, optical, and electrical properties of layered oxychalcogenide Sr2ZnCu2(S1−x Se x )2O2 (0 ≤ x ≤ 1) compounds
DOI: https://doi.org/10.1088/2053-1591/acf54d
[2023] Biophysical Properties of the Fibril Structure of the Toxic Conformer of Amyloid-β42: Characterization by Atomic Force Microscopy in Liquid and Molecular Docking
DOI: https://doi.org/10.1021/acsami.3c06460
[2023] Classification, Identification, and Prediction of Crystal Structures Using Data Science
DOI: https://doi.org/10.5940/jcrsj.65.122
[2023] High-pressure phases of BaCN2 explored using a genetic algorithm
DOI: https://doi.org/10.1016/j.commatsci.2023.112202
[2023] Evolutionary Algorithm Directed Synthesis of Mixed Anion Compounds LaF2X (X=Br, I) and LaFI2
DOI: https://doi.org/10.1002/anie.202301416
[2023] Evolutionary Algorithm Directed Synthesis of Mixed Anion Compounds LaF2X (X=Br, I) and LaFI2
DOI: https://doi.org/10.1002/ange.202301416
[2023] Toward Chemical Accuracy Using the Jastrow Correlated Antisymmetrized Geminal Power Ansatz
DOI: https://doi.org/10.1021/acs.jctc.2c01141
[2023] First-Principles-Based Insight into Electrochemical Reactivity in a Cobalt-Carbonate-Hydroxide Pseudocapacitor
DOI: https://doi.org/10.1021/acsomega.2c07362
[2023] Mechanistic insights and importance of hydrophobicity in cationic polymers for cancer therapy
DOI: https://doi.org/10.1039/d2tb02059a
[2023] First principles study on thermal conductivity of nitrogen substituted diamane
DOI: https://doi.org/10.1088/1742-6596/2431/1/012057
[2022] Diffusion Monte Carlo evaluation of disiloxane linearisation barrier
DOI: https://doi.org/10.1039/d1cp01471d
[2022] Feature Space of XRD Patterns Constructed by an Autoencoder
DOI: https://doi.org/10.1002/adts.202200613
[2022] Order–disorder competition in equiatomic 3d–transition–metal quaternary alloys: phase stability and electronic structure
DOI: https://doi.org/10.1080/27660400.2022.2153632
[2022] Potential high-Tc superconductivity in YCeHx and LaCeHx under pressure
DOI: https://doi.org/10.1016/j.mtphys.2022.100873
[2022] High-pressure behavior of tetragonal barium carbodiimide, BaNCN
[2022] Ab-initio-based interface modeling and statistical analysis for estimate of the water contact angle on a metallic Cu(111) surface
DOI: https://doi.org/10.1016/j.surfin.2022.102342
[2022] Electronic structure and effective mass analysis of doped TiO2 (anatase) systems using DFT+U
DOI: https://doi.org/10.1016/j.commatsci.2022.111714
[2022] Ab initio molecular dynamics simulation of structural and elastic properties of SiO 2 –P 2 O 5 –Al 2 O 3 –Na 2 O glass
DOI: https://doi.org/10.1111/jace.18614
[2022] <scp>Shry</scp>: Application of Canonical Augmentation to the Atomic Substitution Problem
DOI: https://doi.org/10.1021/acs.jcim.2c00389
[2022] High-pressure behavior of tetragonal barium carbodiimide, BaNCN
DOI: https://doi.org/10.1016/j.jallcom.2022.165632
[2022] Computational Design to Suppress Thermal Runaway of Li-Ion Batteries via Atomic Substitutions to Cathode Materials
DOI: https://doi.org/10.1021/acsami.2c01607
[2022] Impact of Surface Faceting on Gas Sensing Selectivity of NiO: Revealing the Adsorption Sites of Organic Vapors on the {111} Facet
DOI: https://doi.org/10.1021/acs.jpcc.2c00092
[2022] Making the most of data: Quantum Monte Carlo postanalysis revisited
DOI: https://doi.org/10.1103/physreve.105.045313
[2022] Diffusion Monte Carlo Study on Relative Stabilities of Boron Nitride Polymorphs
DOI: https://doi.org/10.1021/acs.jpcc.1c10943
[2022] High-Pressure Mg–Sc–H Phase Diagram and Its Superconductivity from First-Principles Calculations
DOI: https://doi.org/10.1021/acs.jpcc.1c08743
[2022] Anomalies in the bulk and surface electronic properties of SnS: effects of native defects
DOI: https://doi.org/10.1039/d1tc04738h
[2022] Stepwise copolymerization of polybenzimidazole for a low dielectric constant and ultrahigh heat resistance
DOI: https://doi.org/10.1039/d2ra01488b
[2022] Anionic ordering in Pb 2 Ti 4 O 9 F 2 revisited by nuclear magnetic resonance and density functional theory
DOI: https://doi.org/10.1039/d2dt00839d
[2021] Synthesis, Electronic Structure, and Physical Properties of Layered Oxypnictides Sr2ScCrAsO3 and Ba3Sc2Cr2As2O5
DOI: https://doi.org/10.1021/acs.inorgchem.0c03404
[2021] Candidate structure for the <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:math>-PRE phase of solid hydrogen
DOI: https://doi.org/10.1103/physrevb.104.214111
[2021] High-Tc Superconducting Hydrides Formed by LaH24 and YH24 Cage Structures as Basic Blocks
DOI: https://doi.org/10.1021/acs.chemmater.1c02371
[2021] Site-Selective Eu3+ Luminescence in the Monoclinic Phase of YSiO2N
DOI: https://doi.org/10.1021/acs.chemmater.1c03139
[2021] Peculiar Atomic Bond Nature in Platinum Monatomic Chains
DOI: https://doi.org/10.1021/acs.nanolett.1c00564
[2021] Importance of Van der Waals Interactions in Hydrogen\nAdsorption on a Silicon-carbide Nanotube Revisited with vdW-DFT and\nQuantum Monte Carlo
DOI: https://doi.org/10.1021/acsomega.1c03318
[2021] The systematic study on the stability and superconductivity of Y-Mg-H compounds under high pressure
DOI: https://doi.org/10.1002/adts.202100364
[2021] Mechanical properties of Pt atomic chains measured by TEM coupled with a quartz resonator
[2021] High-Throughput Evaluation of Discharge Profiles of Nickel Substitution in LiNiO2 by Ab Initio Calculations
DOI: https://doi.org/10.1021/acs.jpcc.0c11589
[2021] Surface Study of Cu2SnS3 Using First‐Principles Density Functional Theory
DOI: https://doi.org/10.1002/adts.202000315
[2021] Stochastic Estimations of the Total Number of Classes for a Clustering having Extremely Large Samples to be Included in the Clustering Engine
DOI: https://doi.org/10.1002/adts.202000301
[2021] Novel superconducting clathrate structures in LaYH$_{12}$
[2021] Insights into the Mechanical and Electrical Properties of a Metal–Phosphorene Interface: An Ab Initio Study with a Wide Range of Metals
DOI: https://doi.org/10.1021/acsomega.0c06255
[2021] Exploring Heat-Shielding Nanoparticle-Based Materials via First-Principles Calculations and Transfer Learning
DOI: https://doi.org/10.1021/acsanm.0c03298
[2021] GaN bandgap bias caused by semi-core treatment in pseudopotentials analyzed by the diffusion Monte Carlo method
DOI: https://doi.org/10.1063/5.0035047
[2021] Exploring Heat-Shielding Materials Using Transfer Learning
[2021] Computational materials design using materials simulations and informatics

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AI 要約（直近 5 年の研究成果）

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研究成果（84 件）

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