Profile

Donghwa Lee 사진
Profile.
Name Donghwa Lee
Organization Dept of Materials Science & Enginrg
Telephone 054-279-2160
E-mail donghwa96@postech.ac.kr
Homepage cnmd.postech.ac.kr

Education

  • 2008.01 ~ 2010.08 UNIVERSITY OF FLORIDA (박사-Materials Science and Engineering)
  • 2005.08 ~ 2007.12 UNIVERSITY OF FLORIDA (석사-Materials Science and Engineering)
  • 1996.03 ~ 2004.02 고려대학교 (학사-)

Career

  • 2015.03 ~ 2017.02 : 전남대학교 신소재공학과
  • 2014.10 ~ 2015.02 : OAK RIDGE NATIONAL LABORATORY MATERIALS THEORY GROUP
  • 2010.09 ~ 2014.09 : LAWRENCE LIVERMORE NATIONAL LABORATORY QUANTUM SIMULATIONS GROUP

Profession

More

Journal Papers

International

  • Cryogenic deformation strengthening mechanisms in FeMnSiNiAl highentropy alloys, Acta Materialia, , 283, - (2025)
  • Excellent Endurance gt 1013 of Charge Trap Memory based on HxWO3 Charge Trap Layer with Shallow Trap Level Using Hydrogen Spillover, IEEE Electron Device Letters, , 45, 1804-1807 (2024)
  • Effect of Albased intermetallic coating layer on H uptake during austenitization in 31MnB5 steel, Acta Materialia, , 274, - (2024)
  • Porously reduced 2Dimensional Bi2O2CO3 Petals for StrainMediated Electrochemical CO2 Reduction to HCOOH, Energy Environmental Materials, , 7, - (2023)
  • Drastic Gas Sensing Selectivity in 2Dimensional MoS2 Nanoflakes by Noble Metal Decoration, ACS Nano, , 17, 4404-4413 (2023)
  • Conformal Growth of Hexagonal Boron Nitride on HighAspectRatio SiliconBased Nanotrenches, Chemistry of Materials, , 35, 2429-2438 (2023)
  • EnergyEfficient and SelfPowered Green Ammonia Synthesis by Electrochemical Nitrate Reduction Combined with Hydrazine Oxidation, SMALL, , , - (2023)
  • Enhancement of the Hydrogen Oxidation Reaction in Alkaline Media via a Bifunctional Effect Using Tantalum as an Oxophilic Agent on NiMoC, ACS Catalysis, , 13, 6813-6822 (2023)
  • Origin of tearing topography surface in hydrogencharged pearlitic steel, ACTA MATERIALIA, , 256, - (2023)
  • Spontaneous electrochemical stabilization of nanostructured organic electrodes by fieldinduced chargetransfer, Energy Storage Materials, , 61, - (2023)
  • FirstPrinciples Investigations on the SemiconductortoMetal Phase Transition of 2D Si2Te3 for Reversible Resistive Switching, ACS Applied Materials Interfaces, , 15, 22212-22218 (2023)
  • Passivating buried interface via selfassembled novel sulfonium salt toward stable and efficient perovskite solar cells, Chemical Engineering Journal, , 431, - (2022)
  • Vertically aligned twodimensional halide perovskites for reliably operable artificial synapses, Materials Today, , 52, 19-30 (2022)
  • Highly Stable Germanium Microparticle Anodes with a Hybrid Conductive Shell for High Volumetric and Fast Lithium Storage, ACS Applied Materials and Interfaces, , 14, 750-760 (2022)
  • Effect of the Oxygen Composition Control of HfOx Films on Threshold and Memory Switching Characteristics for Hybrid Memory Applications, Advanced Electronic Materials, , , - (2022)
  • Self‐Formed Multifunctional Grain Boundary Passivation Layer Achieving 224 Efficient and Stable Perovskite Solar Cells, Solar RRL, , 6, 2100893- (2022)
  • Interfacial defect passivation by novel phosphonium salts yields 22 efficiency perovskite solar cells Experimental and theoretical evidence, EcoMat, , 4, - (2022)
  • 3D Interaction of Zwitterions for Highly Stable and Efficient Inorganic CsPbI3 Solar Cells, Advanced Functional Materials, , 32, - (2022)
  • Cooperative coupling of anisotropic phonon modes intensifies visible thermochromism in layered αMoO3, Materials Horizons, , 9, - (2022)
  • Simultaneous Passivation of Bulk and Interface Defects with Gradient 2D3D Heterojunction Engineering for Efficient and Stable Perovskite Solar Cells, ACS Applied Materials Interfaces, , 14, 21079-21088 (2022)
  • Ion migration suppression mechanism via 4sulfobenzoic acid monopotassium salt for 227 stable perovskite solar cells 通过4磺基苯甲酸单钾盐抑制离子迁移以实现效率为227的稳定钙钛矿太阳能电池, Science China Materials, , 65, 3368-3381 (2022)
  • Extremely Sensitive and Selective NO2 Detection at Relative Humidity 90 in 2Dimensional Tin SulfidesSnO2 Nanorod Heterostructure, Sensors and Actuators B Chemical, , 369, - (2022)
  • Bi catalysts supported on GaN nanowires toward efficient photoelectrochemical CO2 reduction, Journal of Materials Chemistry A, , 10, 7869-7877 (2022)
  • Noncovalent minimal assembly of exogenous histamine with hemin cofactor as a peroxidasemimicking cooperative catalyst, iScience, , 25, - (2022)
  • Anionic Flow Valve Across Oxide Heterointerfaces by Remote Electron Doping, Nano Letters, , 22, 9306-9312 (2022)
  • Bodycenteredcubic martensite and the role on roomtemperature tensile properties in Siadded SiVCrMnFeCo highentropy alloys, JOURNAL OF MATERIALS SCIENCE TECHNOLOGY, , 76, 222-230 (2021)
  • Hybrid Memory Device MemorySelector with Scalable and Simple Structure for XNORBased Neural Network Applications, Advanced Electronic Materials, , , - (2021)
  • Stabilization of 3D trigonal phase in guanidinium CNH23 lead triiodide GAPbI3 films, APPLIED SURFACE SCIENCE, , 542, - (2021)
  • Enhancement of the photovoltaic properties of Ag2BiI5 by Cu doping, Sustainable Energy Fuels, , 5, 1439-1447 (2021)
  • Edgeexposed WS2 on 1D nanostructures for highly selective NO2 sensor at room temperature, Sensors and Actuators B Chemical, , 333, - (2021)
  • An Efficient Approach Based on Tuned Nanoionics to Maximize Memory Characteristics in AgBased Devices, ADVANCED ELECTRONIC MATERIALS, , 7, - (2021)
  • A unified computational view of DNA duplex triplex quadruplex and their donoracceptor interactions, NUCLEIC ACIDS RESEARCH, , 49, 4919-4933 (2021)
  • Designing zerodimensional dimertype allinorganic perovskites for ultrafast switching memory, NATURE COMMUNICATIONS, , 12, - (2021)
  • Crystal Orientation Modulation and Defect Passivation for Efficient and Stable MethylammoniumFree DionJacobson Quasi2D Perovskite Solar Cells, ACS APPLIED MATERIALS amp INTERFACES, , 13, 29567-29575 (2021)
  • Interfacial gradient energy band alignment modulation via ion exchange reaction toward efficient and stable methylammoniumfree DionJacobson quasi2D perovskite solar cells, JOURNAL OF POWER SOURCES, , 506, - (2021)
  • Unnatural Hygroscopic Property of Nicotinic Acid by Restructuring Molecular Density SelfHealing Halide Perovskites, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, , 12, 8932-8938 (2021)
  • Domains and domain walls in ferroic materials, JOURNAL OF APPLIED PHYSICS, , 129, - (2021)
  • Visualization of electrochemical behavior in carbon steel assisted by machine learning, APPLIED SURFACE SCIENCE, , 563, - (2021)
  • ASite Effect on the Oxidation Process of SnHalide Perovskite FirstPrinciples Calculations, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, , 12, 9691-9696 (2021)
  • Surface Diffusion and Epitaxial SelfPlanarization for WaferScale SingleGrain Metal Chalcogenide Thin Films, Advanced Materials, , 33, - (2021)
  • Deep Insight into SteepSlope Threshold Switching with Record Selectivity 4 × 1010 Controlled by MetalIon Movement through VacancyInducedPercolation Path QuantumLevel Control of HybridFilament, Advanced Functional Materials, , 31, - (2021)
  • CyclohexylammoniumBased 2D3D Perovskite Heterojunction with FunnelLike Energy Band Alignment for Efficient Solar Cells 2391, Advanced Energy Materials, , 11, - (2021)
  • Visualization of Transition Metal Decoration on hBN Surface, Nano Letters, , 21, 10562-10569 (2021)
  • Effect of oxygen vacancies on electrical conductivity of La05Sr05FeO3delta from firstprinciples calculations, JOURNAL OF MATERIALS CHEMISTRY A, , 8, 4784-4789 (2020)
  • Understanding the Enhancement of the Catalytic Properties of Goethite by Transition Metal Doping Critical Role of O Formation Energy Relative to OH and OOH, ACS APPLIED ENERGY MATERIALS, , 3, 1634-1643 (2020)
  • MetalHalide Perovskite Design for NextGeneration Memories FirstPrinciples Screening and Experimental Verification, Advanced Science, , 7, - (2020)
  • Analysis of damagetolerance of TRIPassisted V10Cr10Fe45Co30Ni5 highentropy alloy at room and cryogenic temperatures, JOURNAL OF ALLOYS AND COMPOUNDS, , 844, - (2020)
  • FirstPrinciples Investigations to Evaluate the SpinPolarized MetaltoInsulator Transition of Halide Cuprite Perovskites for Smart Windows, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, , 142, 14859-14863 (2020)
  • Tailoring electronic structure of bifunctional CuAg layered electrocatalysts for selective CO2 reduction to CO and CH4, Nano Energy, , 78, - (2020)
  • Directional ionic transport across the oxide interface enables lowtemperature epitaxy of rutile TiO2, Nature Communications, , 11, - (2020)
  • Bifacial stamping for high efficiency perovskite solar cells, ENERGY ENVIRONMENTAL SCIENCE, , 12, 308-321 (2019)
  • Au decoration of a graphene microchannel for selfactivated chemoresistive flexible gas sensors with substantially enhanced response to hydrogen, Nanoscale, , 11, 2966-2973 (2019)
  • Effects of deformationinduced BCC martensitic transformation and twinning on impact toughness and dynamic tensile response in metastable VCrFeCoNi highentropy alloy, JOURNAL OF ALLOYS AND COMPOUNDS, , 785, 1056-1067 (2019)
  • Role of ChargeTrapping Iodine Frenkel Defects for Hysteresis in OrganicInorganic Hybrid Perovskite from FirstPrinciples Calculations, Journal of Physical Chemistry C, , 123, 9629-9633 (2019)
  • StrainMediated Phase Stabilization A New Strategy for Ultrastable alphaCsPbI3 Perovskite by Nanoconfined Growth, SMALL, , 15, - (2019)
  • 3D Stackable and Scalable Binary Ovonic Threshold Switch Devices with Excellent Thermal Stability and Low Leakage Current for HighDensity CrossPoint Memory Applications, ADVANCED ELECTRONIC MATERIALS, , 5, - (2019)
  • Cryogenictemperature fracture toughness analysis of nonequiatomic V10Cr10Fe45Co20Ni15 highentropy alloy, JOURNAL OF ALLOYS AND COMPOUNDS, , 809, - (2019)
  • The effect of compositional engineering of imidazolium lead iodide on the resistive switching properties, NANOSCALE, , 11, 14455-14464 (2019)
  • Direct Probing of Oxygen Loss from the Surface Lattice of Correlated Oxides during Hydrogen Spillover, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, , 10, 7285-7292 (2019)
  • Enhanced catalytic activity of edgeexposed 1T phase WS2 grown directly on a WO3 nanohelical array for water splitting, JOURNAL OF MATERIALS CHEMISTRY A, , 7, 26378-26384 (2019)
  • Universal Approach toward HysteresisFree Perovskite Solar Cell via Defect Engineering, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, , 140, 1358-1364 (2018)
  • Crystalphase intergradation in InAs nanostructures grown by van der Waals heteroepitaxy on graphene, APPLIED PHYSICS LETTERS, , 112, 142101- (2018)
  • 1D Hexagonal HCNH22PbI3 for Multilevel Resistive Switching Nonvolatile Memory, ADVANCED ELECTRONIC MATERIALS, , 4, - (2018)
  • Tailoring Crystallographic Orientations to Substantially Enhance Charge Separation Efficiency in Anisotropic BiVO4 Photoanodes, ACS CATALYSIS, , 8, 5952-5962 (2018)
  • AllInorganic Bismuth Halide PerovskiteLike Materials A3Bi2I9 and A3Bi18Na02I86 A Rb and Cs for LowVoltage Switching Resistive Memory, ACS APPLIED MATERIALS INTERFACES, , 10, 29741-29749 (2018)
  • FacetDependent Phase Control by Band Filling and Anisotropic ElectronLattice Coupling in HVO2 Epitaxial Films, Advanced Electronic Materials, , 4, - (2018)
  • Chemically fluorinated graphene oxide for room temperature ammonia detection at ppb levels, JOURNAL OF MATERIALS CHEMISTRY A, , 5, 19116-19125 (2017)
  • Stabilizing the Ag Electrode and Reducing JV Hysteresis through Suppression of Iodide Migration in Perovskite Solar Cells, ACS APPLIED MATERIALS INTERFACES, , 9, 36338-36349 (2017)
  • Waferscale reliable switching memory based on 2dimensional layered organicinorganic halide perovskite vol 9 pg 15278 2017, NANOSCALE, , 9, 17144-17144 (2017)
  • Waferscale reliable switching memory based on 2dimensional layered organicinorganic halide perovskite, NANOSCALE, , 9, 15278-15285 (2017)
  • Charge state of vacancy defects in Eudoped GaN, PHYSICAL REVIEW B, , 96, - (2017)
  • Effect of halidemixing on the switching behaviors of organicinorganic hybrid perovskite memory, Scientific Reports, , 7, - (2017)
  • Reliable current changes with selectivity ratio above 109 observed in lightly doped zinc oxide films, NPG Asia Materials, , 9, - (2017)
  • Magnetic stability of oxygen defects on the SiO2 surface, Magnetic stability of oxygen defects on the SiO2 surface, , 7, 25110- (2017)
  • A zerothermalquenching phosphor, Nature materials, , 16, 543-550 (2017)
  • Sodium ion transport in polymorphic scandium NASICON analog Na3Sc2PO43 with new dielectric spectroscopy approach for currentconstriction effects, SOLID STATE IONICS, , 289, 55-71 (2016)
  • The Effect of Domain Wall on Defect Energetics in Ferroelectric LiNbO3 from Density Functional Theory Calculations, Journal of the Korean Ceramic Society, , 53, 312-316 (2016)
  • Depinning of the ferroelectric domain wall in congruent LiNbO3, APPLIED PHYSICS LETTERS, , 109, 82905- (2016)
  • Molecular to atomic phase transition in hydrogen under high pressure, PHYSICAL REVIEW LETTERS, , 114, 105305- (2015)
  • Electronic structure and insulating gap opening in epitaxial VO2 polymorphs, APL Materials, , 3, 126109- (2015)
  • Identification of the local sources of paramagnetic noise in superconducting qubit devices fabricated on αAl2O3 substrates using densityfunctional calculations, PHYSICAL REVIEW LETTERS, , 112, 17001- (2014)
  • Dependence of Water Dynamics on Molecular Adsorbates near Hydrophobic Surfaces FirstPrinciples Molecular Dynamics Study, Journal of Physical Chemistry C, , 118, 8508-8513 (2014)
  • Thermodynamics and Kinetics of Three MgHVN complexes in MgGaN from Combined FirstPrinciples Calculation and Experiment, PHYSICAL REVIEW LETTERS, , 112, 205501- (2014)
  • A Mechanism for TiO2 Formation on Stepped TiN 001 from FirstPrinciples Calculations, Journal of Physical Chemistry C, , 118, 384-388 (2014)
  • Exploring the Potential of Fulvalene dimetals as Platforms for Molecular Solar Thermal Energy Storage Computations Syntheses Structures Kinetics and Catalysis, CHEMISTRYA EUROPEAN JOURNAL, , 20, 15587-15604 (2014)
  • Importance of Excitonic Effect in Charge Separation at QuantumDotOrganic Interface FirstPrinciples ManyBody Calculations, NANO LETTERS, , 14, 6884-6888 (2014)
  • Interfacial Effects on the Band Edges of Functionalized Si Surfaces in Liquid Water, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, , 136, 17071-17077 (2014)
  • ElectronBeamInduced Migration of Hydrogen in Mgdoped GaN using Eu as a Probe, PHYSICAL REVIEW B, , 88, 121202- (2013)
  • Vibrationally induced center reconfiguration in codoped GaNEu Mg epitaxial layers local hydrogen migration vs activation of nonradiative channels, APPLIED PHYSICS LETTERS, , 103, 242105- (2013)
  • Local probing of the interaction between intrinsic defects and ferroelectric domain walls in lithium niobate, APPLIED PHYSICS LETTERS, , 102, 42905- (2013)
  • Xray Transient Absorption and Picosecond IR Spectroscopy of Fulvalenetetracarbonyldiruthenium on Photoexcitation, ANGEWANDTE CHEMIEINTERNATIONAL EDITION, , 51, 7692-7696 (2012)
  • Atomistic simulations of the adsorption and migration barriers of Cu adatoms on ZnO surfaces using COMB potentials, SURFACE SCIENCE, , 606, 1280-1288 (2012)
  • Biomimetic Carbon Nanotube for Catalytic CO2 Hydrolysis FirstPrinciples Investigation on the Role of Oxidation State and Metal Substitution in Porphyrin, Journal of Physical Chemistry Letters, , 3, 1369-1373 (2012)
  • Acetylene IonEnhanced Bonding of PbS Nanoparticles to Quaterthiophene in Thin Films, Journal of Physical Chemistry C, , 116, 21693-21698 (2012)
  • Role of FourFold Coordinated Titanium and Quantum Confinement in CO2 Reduction at Titania Surface, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, , 134, 20266-20269 (2012)
  • Shape of Ferroelectric Domains in LiNbO3 and LiTaO3 from DefectDomainWall Interactions, APPLIED PHYSICS LETTERS, , 98, 92903- (2011)
  • Structure and Energetics of 180° Domain Walls in PbTiO3 by Density Functional Theory, JOURNAL OF PHYSICSCONDENSED MATTER, , 23, 175902- (2011)
  • Structure and diffusion of intrinsic defect complexes in LiNbO3 from density functional theory calculations, JOURNAL OF PHYSICSCONDENSED MATTER, , 22, 135002- (2010)
  • Correlated polarization switching in the proximity of a 180 degrees domain wall, PHYSICAL REVIEW B, , 82, 24111- (2010)
  • Stability and charge transfer levels of extrinsic defects in LiNbO3, PHYSICAL REVIEW B, , 82, 184109- (2010)
  • Multilevel Computational Analysis of Fluorocarbon Polyatomic Deposition on Diamond, Journal of Physical Chemistry C, , 114, 12535-12544 (2010)
  • Structure and Energetics of Ferroelectric Domain Walls in LiNbO3 from atomic level simulations, PHYSICAL REVIEW B, , 82, 14104- (2010)
  • Interactions of Defects and Domain Walls in LiNbO3 – Insights from Simulations, IOP Conference Series Materials Science and Engineering, , 15, 12003- (2010)
  • Structure and energetics of Er defects in LiNbO3 from firstprinciples and thermodynamic calculations, PHYSICAL REVIEW B, , 80, 144104- (2009)
  • Mixed BlochNéelIsing character of 180° ferroelectric domain walls, PHYSICAL REVIEW B, , 80, 60102- (2009)
  • Stability of intrinsic defects and defect clusters in LiNbO3 from density functional theory calculations, PHYSICAL REVIEW B, , 78, 174103- (2008)

Domestic Journal Papers

General Journal Papers

Conference Proceedings

  • PaschenBack Ferromagnetism in Strained Oxide Heterostructures, , 0, 0, - (2023)
  • 제일원리 계산을 통한 페로브스카이트 태양전지의 히스테리스의 원인, 2018년도 한국표면공학회 추계학술대회 논문집, 0, 0, - (2018)
  • 구리계 층상 할라이드 페로브스카이트에서의 밴드갭 변화에 관한 제일원리 연구, 2018년도 한국표면공학회 추계학술대회 논문집, 0, 0, - (2018)
  • Enhanced Catalytic Activity of 2D3D Hybrid WS2WO3 Nanohelixes for Efficient Water Splitting, ENGE 2018, 0, 0, - (2018)
  • Theoretical Investigation of the catalytic activity of goethite αFeOOH for the Electrochemical Water Oxidation, ENGE 2018, 0, 0, - (2018)
  • The origin of hysteresis in hybrid Perovskite solar cell from FirstPrinciples calculations, ENGE 2018, 0, 0, - (2018)
  • Firstprinciples investigation on the band gap variation of the Copperbased layeredhalide perovksite, ENGE 2018, 0, 0, - (2018)
  • AgBi2I7 결정구조 분석 및 엔트로피 안정성에 대한 연구, 2018년 한국세라믹학회 춘계학술대회, 0, 0, - (2018)
  • Firstprinciples Investigation of Cu Based RuddlesdenPopper Phase for Highly Efficient Leadfree Photoactive Materials, 2017년 한국세라믹학회 추계학술대회 및 총회, 0, 0, - (2017)
  • First Principle Investigation on Formingfree Process of MAPI3 based Hybrid Perovskite Memristor, 2017년 한국세라믹학회 추계학술대회 및 총회, 0, 0, - (2017)

Invited Talk or Presentations

  • Structural Design Strategies of Organic Cathodes for Sustainable LiIon Batteries Using GraphBased Explainable AI , , 0, 0, - (2024)
  • Bibliographic DataDriven Keyword Network Analysis in ReRAM Research , , 0, 0, - (2024)
  • AtomicScale Insights into Polarization Mechanism in HfO2 Ferroelectrics Using MultiPhase Machine Learning Potential , , 0, 0, - (2024)
  • Inverse Design of Organic Mixtures Using FirstPrinciples Calculations Mediated Bayesian Optimization , , 0, 0, - (2024)
  • Inverse Design of Organic Mixtures Using FirstPrinciples Calculations Mediated Bayesian Optimization , , 0, 0, - (2024)
  • Automatic Research Trend Analysis Using Keywords from Bibliographic Text Data , , 0, 0, - (2024)
  • Structural Design Strategies of Organic Cathodes for Sustainable LiIon Batteries Using GraphBased Explainable AI , , 0, 0, - (2024)
  • Designing HighStrength Alloys with Combined TWIP and TRIP Mechanisms Using Machine Learning and FirstPrinciples Calculations , , 0, 0, - (2024)
  • Investigating Oxygen Vacancy Dynamics in Ferroelectric HfO2 Films Using DFT and MachineLearned Interatomic Potentials , , 0, 0, - (2024)
  • The Effect of BSite Element on Proton Conductivity in ABO25 ASr Brownmillerite Structures A FirstPrinciples Study , , 0, 0, - (2024)
  • FirstPrinciples Investigation on Effective nType Doping Strategies for Si2Te3 , , 0, 0, - (2024)
  • Role of BSite Dopants on Oxygen Evolution Reaction for PrBaFe2O5δ Using Density Functional Theory Calculations , , 0, 0, - (2024)
  • FirstPrinciples Study of Proton Conductivity in Hexagonal Perovskite Ba5R2Al2ZrO13RGdLu for Protonic Ceramic Electrolysis Cells , , 0, 0, - (2024)
  • Material Design by Combining AI and Computational Materials Science , , 0, 0, - (2024)
  • AtomicScale Insights into Polarization Mechanism in HfO2 Ferroelectrics Using MultiPhase Machine Learning Potential , , 0, 0, - (2024)
  • Tutorial Era of AI in Materials Science , , 0, 0, - (2024)
  • Natural Language Processing for Building a Literaturebased Materials Database and Research Applications , , 0, 0, - (2024)
  • Development of sustainable organic cathodes by using a combined approach of firstprinciples calculations and machinelearning techniques , , 0, 0, - (2024)
  • Natural Language Processing for Building a Literaturebased Materials Database and Research Applications , , 0, 0, - (2024)
  • 자연어 처리 기술을 활용한 문헌 기반 PSPP 관계성 데이터 자동 구축 기술 , , 0, 0, - (2024)
  • 제일원리 계산을 통한 TZrHfNb 고엔트로피 합금 내 Ordered Oxygen Complexes 형성과 그로 인한 취성 억제 메커니즘 분석 , , 0, 0, - (2024)
  • 제일원리 계산을 통한 입계 편석이 마르텐사이트 강의 수소취성에 미치는 영향 분석 , , 0, 0, - (2024)
  • 제일원리 계산을 활용한 수소취성 저항성 개선을 위한 복합 석출물 설계 , , 0, 0, - (2024)
  • 제일원리와 머신러닝을 접목한 지속가능 배터리용 유기물 양극재 개발 가속화 , , 0, 0, - (2024)
  • AI 기반 소재 개발 , , 0, 0, - (2024)
  • Material design by combining AI and computational materials science , , 0, 0, - (2024)
  • Highly Scalable Vertical Bypass RRAM VBRRAM for 3D v NAND Memory, Digest of Technical Papers Symposium on VLSI Technology, 0, 0, - (2024)
  • Accelerating materials research by combining AI and computational materials science , , 0, 0, - (2024)
  • Visualization of the crystallographic effect on oxygen diffusion and metalinsulator transition modulation in VO2 thin films, , 0, 0, - (2022)
  • Visualizationofthecrystallographiceffectonoxygendiffusionandmetalinsulatortransition modulationinVO2thinfilms, , 0, 0, - (2022)
  • Improving the SiGeAsTe Ovonic Threshold Switching OTS Characteristics by Microwave Annealing for Excellent Endurance 1011 and Low Drift Characteristics, Digest of Technical Papers Symposium on VLSI Technology, 0, 0, 320-321 (2022)
  • Lowtemperature epitaxy of rutile TiO2 films enabled by oxygen trasport across the oxide heterointerfaces, , 0, 0, - (2022)
  • 소재데이터의 자연어 처리를 위한 raw 데이터 수집기법 개발, 2021 대한금속 · 재료학회 추계학술 대회, 0, 0, - (2021)
  • AIDriven Materials Design, , 0, 0, - (2021)
  • Visualization of Transition Metal Decoration on hBN Surface, , 0, 0, - (2021)
  • MgTe OTS selector with Low Ioff 100 pA Fast Switching Speed τd 7 ns and High Thermal Stability 400 °C 30min for Xpoint Memory Applications, 2021 Symposium on VLSI Technology, 0, 0, - (2021)
  • Atomic Scale Analysis of Transition Metal Decorated hBN, , 0, 0, - (2021)
  • Highlystable 3 fluctuation Agbased Threshold Switch with Extremelow OFF Current of 01 pA Extremehigh Selectivity of 109 and High Endurance of 109, 2020 IEEE International Electron Devices Meeting, 0, 0, - (2020)
  • Visualization of the Crystallographic Effect on Oxygen Diffusion in VO2, ENGE 2020, 0, 0, - (2020)
  • Effect of Oxygen Vacancies on Electrical Conductivity of La05Sr05FeO3δ from FirstPrinciples Calculations, ENGE 2020, 0, 0, - (2020)
  • Atomicscale Analysis of Transition Metal Decorated hBN via CsSTEM, ENGE 2020, 0, 0, - (2020)
  • Atomic Scale Analysis of Transition Metal Decorated hBN via Aberration Corrected Scanning Transmission Electron Microscopy CsSTEM, , 0, 0, - (2020)
  • Understanding the Physical Origin of Anisotropic Oxygen Diffusion Process during TiO2 Epitaxy on VO2 Surface through FirstPrinciples Calculations, ENGE 2020, 0, 0, - (2020)
  • Ab Initio Simulation of Various DNA BasePairing Layers and Their Stacking Interactions, , 0, 0, - (2020)
  • Text mining 기반 ReRAM용 소재데이터 구축, 2020 대한금속 · 재료학회 추계학술 대회, 0, 0, - (2020)
  • Firstprinciplesbased Hybrid Perovskite Materials Design for Memristor, TMS 2020 149th Annual MeetingExhibition, 0, 0, - (2020)
  • Firstprinciples calculations on electrical conductivity and charge carrier effective masses of 〖〗05 〖〗05 3− under high temperature and low oxygen partial pressure, 43rd International Conference and Exposition on Advanced Ceramics and Composites, 0, 0, - (2020)
  • Analysis of oxygen octahedral structure change depending on strain in double perovskite Sr2FeReO6 thin film , ICAMD 2019, 0, 0, - (2019)
  • Direct Probing of oxygen loss from the surface lattice of correlated oxides during hydrogen spillover, ICAMD 2019, 0, 0, - (2019)
  • Directional ionic transport across the oxide interface enables lowtemperature epitaxy of rutile TiO2, ICAMD 2019, 0, 0, - (2019)
  • CaF2 용융염에서 TiO2 전해환원의 제일원리 분자동역학 연구 , 2019 한국세라믹학회 추계학술대회 및 총회, 0, 0, - (2019)
  • 금속 절연체 전이 시스템 LnBaCo2O55Ln란탄족의 전자 구조에 미치는 Ln3 이온 크기 영향 , 2019 한국세라믹학회 추계학술대회 및 총회, 0, 0, - (2019)
  • The origin of hysteresis in hybrid Perovskite solar cell from FirstPrinciples calculations , ICMS 2019, 0, 0, - (2019)
  • First Principle Molecular Dynamics Investigation on TiO2 Electrolysis in CaF2 Molten Salt , ICMS 2019, 0, 0, - (2019)
  • FirstPrinciples Investigation on CopperBased LayeredHalide PerovskiteA2CuX4 , ICMS 2019, 0, 0, - (2019)
  • First Principle Molecular Dynamics Investigation on TiO2 Electrolysis in CaF2 Molten Salt , 2019 대한금속재료학회 추계학술대회 일정집, 0, 0, - (2019)
  • Silicon 내 Phosphorus의 Clustering 거동에 대한 제일원리 연구 및 시뮬레이션 , 2019 대한금속재료학회 추계학술대회 일정집, 0, 0, - (2019)
  • First principle molecular dynamics investigation on TiO2 electrolysis in CaF2 molten salt , 2019년 가을 학술논문발표회 및 임시총회, 0, 0, - (2019)
  • Phosphorus clustering behavior in silicon from FirstPrinciples calculations , 제15회 전자구조계산학회, 0, 0, - (2019)
  • First principle predictions for screening low stacking fault energy of SiVCrMn03Fe05CoNi , 제15회 전자구조계산학회, 0, 0, - (2019)
  • FirstPrinciple Study of Charge Transfer at Ta2O5RuO2 Interface , 제15회 전자구조계산학회, 0, 0, - (2019)
  • FirstPrinciple 계산을 활용한 SiVCrMn03Fe05CoNi 7원계의 조성과 온도에 따른 Intrinsic Stacking Fault Energy Map 구축 및 Transformation Induced Plasticity 영역 예측 , 2019 Joint Symposium on MSE for 21st Century, 0, 0, - (2019)
  • FirstPrinciple 계산을 활용한 SiVCrMn03Fe05CoNi 7원계의 조성과 온도에 따른 Intrinsic Stacking Fault Energy Map 구축 및 Transformation Induced Plasticity 영역 예측 , 춘계학술대회 일정집, 0, 0, - (2019)
  • V10Cr10Fe45Co30Ni5 고엔트로피 합금에서 변태유기소성과 변형 쌍정이 충격특성과 동적 인장 특성에 미치는 영향, 2019 대한금속재료학회 춘계 학술대회, 0, 0, - (2019)
  • Intrinsic properties of LaCoO3 from FirstPrinciples Density Functional Theory Calculations, 43rd International Conference and Exposition on Advanced Ceramics and Composites, 0, 0, - (2019)
  • FirstPrinciples Investigations on Atomistic Origin of IV Hysteresis in Hybrid Perovskite Solar Cell, 2018 MRS Fall meeting, 0, 0, - (2018)
  • First Principle Investigation on Formingfree Process of MAPbI3–based Hybrid Perovskite Memristor, ENGE 2018, 0, 0, - (2018)
  • 페라이트세멘타이트 계면에서의 Mn의 편석 현상에 대한 DFT를 활용한 분석, 추계학술대회 일정집, 0, 0, - (2018)
  • 제일원리를 이용한 하이브리드 페로브스카이트 태양전지의 IV 히스테리시스에 대한 연구, 2018 추계학술대회, 0, 0, - (2018)
  • Mechanism of Resistance Switching in MAPbI3based Memristor from FirstPrinciples Calculations, IUMRSICEM 2018, 0, 0, - (2018)
  • Mechanism of Resistance Switching in MAPbI3based Memristor from FirstPrinciples calculations, NANO KOREA 2018, 0, 0, - (2018)
  • Abinitio study of entropic stabilization of AgBi2I7, 2018 Joint Symposium on MSE for 21st Century Program and Abstracts, 0, 0, - (2018)
  • Exploring selective binding of rare metal ions using specific nucleic acid structures, 2018 Joint Symposium on Materials Science and Engineering for the 21st Century, 0, 0, - (2018)
  • Pbfree 태양전지 광활성 물질 연구를 위한 AgBiI 3원계 partially occupied 결정구조 예측, 춘계학술대회 일정집, 0, 0, - (2018)
  • 제일원리를 이용한 CH3NH3PbI3의 결함성질 분석, 2018년 한국세라믹학회 춘계학술대회, 0, 0, 34-34 (2018)
  • Firstprinciplesbased Novel Materials Design for Pbfree Perovskite Solar Cell, TMS2018, 0, 0, - (2018)
  • HighPerformance Organometal Halide Perovskite Memory with Halide Compositions Control, , 0, 0, - (2017)
  • Theoryguided optimization and novel materials design from FirstPrinciples, 3rd EMN Meeting on Computation and Theory, 0, 0, - (2017)
  • 유무기 하이브리드 페로브스카이트 기반 멤리스터 디바이스의 구동 원리, 2017 대한금속 재료학회 추계학술대회, 0, 0, - (2017)
  • 밀도범함수 이론 계산을 이용한 LaCoO3의 특성 이해, 한국세라믹학회 추계학술대회, 0, 0, - (2017)
  • Materials Characterization of Organicinorganic Hybrid Perovskite from Firstprinciples Calculations, 한국세라믹학회 춘계학술대회, 0, 0, - (2017)

Books

Research Activities

  • 이동화_신규부임교수 연구비지원(1차_학과), 포항공과대학교 (2017-2018)
  • 이동화_신규부임교수 기자재지원(1차_대학), 포항공과대학교 (2017-2018)
  • 이동화_신규부임교수 연구비지원(1차_대학), 포항공과대학교 (2017-2018)
  • 제일 원리와 고속대량 스크리닝 기법을 이용한 신조성 고효율 광촉매 개발, 재단법인한국연구재단 (2016-2017)
  • 2016년도 이월과제 - 4.14657, 재단법인한국연구재단 (2016-2017)
  • 다성분계 고엔트로피 합금 소재 개발을 위한 CLUSTER EXPANSION CODE의 개발, 포항공과대학교 (2017-2018)
  • (집담회)멀티스케일 모델링 기반 공동연구과제 모색을 위한 회의, 포항공과대학교 (2017-2018)
  • DEVELOPMENT OF NEW COMPOSITION PHOTOCATALYST FOR HIGHLY EFFICIENT SOLAR TO FUEL CONVERSION USING FIRST-PRINCIPLES AND HIGH-THROUGHPUT SCREENING, 재단법인한국연구재단 (2017-2018)
  • 학생인건비통합관리과제, 포항공대산학협력단 (2017-2022)
  • EXXONMOBIL KNOWLEDGE BUILD FUND(KBF), ExxonMobil Research & Engineering (2018-2018)
  • 4.14657/14676 이월과제, 재단법인한국연구재단 (2017-2018)
  • 이동화_신규부임교수 기자재지원(2차_대학), 포항공과대학교 (2018-2019)
  • 이동화_신규부임교수 연구비지원(2차_학과), 포항공과대학교 (2018-2019)
  • 이동화_신규부임교수 연구비지원(2차_대학), 포항공과대학교 (2018-2019)
  • [ISP]멀티스케일 모델링 기반 공동연구과제 모색을 위한 회의, 포항공과대학교 (2018-2019)
  • AB-INITIO 계산 기반 다성분계 고엔트로피 합금소재 개발, 포항공과대학교 (2018-2019)
  • UNDERSTANDING THE TEMPERATURE DEPENDENCE MAGNETION ACL, 포스코홀딩스(주) (2018-2018)
  • EMTO-CPA를 활용한 TRIP HEA 연구, 포스코홀딩스(주) (2018-2019)
  • 이동화_기자재지원(2차_학과), 포항공과대학교 (2018-2019)
  • 자체연구개발과제 [2015년 신설], 포항공과대학교 (2019-2030)
  • 이동화_신규부임교수 기자재지원(3차_대학), 포항공과대학교 (2019-2020)
  • 이동화_신규부임교수 연구비지원(3차_학과), 포항공과대학교 (2019-2020)
  • 이동화_신규부임교수 연구비지원(3차_대학), 포항공과대학교 (2019-2020)
  • DEVELOPMENT OF NOVEL RESISTANCE SWITCHING MATERIALS BY USING FIRST-PRINCIPLES-BASED HIGH-THROUGHPUT CALCULATION PLATFORM COMBINED WITH MACHINE-LEARNING, 재단법인한국연구재단 (2019-2020)
  • FIRST-PRINCIPLES 계산을 통한 CAF2 용매의 TIO에 대한 용해도 예측, 한국지질자원연구원 (2019-2019)
  • NCM 양극재 원소별 도핑상태 및 효과 분석 기술개발, 포스코홀딩스(주) (2019-2020)
  • [4.18173_기술개발]새로운 제일원리 계산 방법론 개발, 포항공대산학협력단 (2019-2020)
  • 제일원리 계산을 통해 LI 원료에 따른 NI RICH 양극재의 생성 메커니즘 규명, 포스코홀딩스(주) (2019-2020)
  • [4.18908_기술개발]제일원리 계산을 통해 LI원료에 따른 NI RICH 양국재의 생성 메커니즘 규명, 포항공대산학협력단 (2019-2020)
  • 고내식 합금도금강판(POSMAC) 환경별 부식 예측 모델 개발, 포스코홀딩스(주) (2020-2020)
  • 제일원리와 머신러닝이 접목된 고속대량 스크리닝 플랫폼을 이용한 RERAM 신물질 개발, 재단법인한국연구재단 (2020-2021)
  • [4.19325_기술개발]고내식 합금도금강판(POSMAC) 환경별 부식 예측 모델 개발, 포항공대산학협력단 (2020-2020)
  • [BSRI-ISP]멀티스케일 모델링 그룹간 공동 연구 회의, 포항공과대학교 (2020-2021)
  • 4.17687 이월과제, 재단법인한국연구재단 (2020-2021)
  • [UGRP]IMPROVING THE EFFICIENCY OF TRANSPARENT SOLAR CELLS: DEVELOPMENT OF THE TRANSPARENT PB-FREE, 포항공과대학교 (2020-2021)
  • AI 기반 초임계 소재, 한국산업기술기획평가원 (2020-2021)
  • 소재데이터 DB 구축과 자연어 처리를 위한 소재데이터 처리 및 분석 용역, 한국표준과학연구원 (2021-2021)
  • (전사) POSMAC3.0 이미지 기반 부식 예측 모델 개발 (1/1), 포스코홀딩스(주) (2021-2021)
  • [4.21124_기술개발](전사) POSMAC3.0 이미지 기반 부식 예측 모델 개발 (1/1), 포항공대산학협력단 (2021-2021)
  • 제일원리와 머신러닝이 접목된 고속대량 스크리닝 플랫폼을 이용한 RERAM 신물질 개발, 재단법인한국연구재단 (2021-2022)
  • 전자BG 제품 특성 향성을 위한 원자재 비율 최적화 머신러닝(ML) 모델 개발, (주)두산전자사업 수지 (2021-2024)
  • 4.0019561/4.0020458_이월과제, 재단법인한국연구재단 (2021-2022)
  • 소재연구데이터 활용을 위한 데이터 처리 및 인공지능 방법론 개발, 한국표준과학연구원 (2021-2021)
  • AI 기반 초임계 소재, 한국산업기술기획평가원 (2021-2022)
  • DEVELOPMENT OF DATA MINING TECHNICOLOGY FOR AUTOMATIC COLLECTION OF MATERIALS RESEARCH DATA, 재단법인한국연구재단 (2021-2022)
  • ACCELERATED MATERIALS DESIGN OF PROTONIC CERAMIC ELECROLYSIS CELL(PCEC) USING FIRST-PRINCIPLES CALCULATIONS AND MACHINE LEARNING, 충북대학교 산학협력단 (2021-2021)
  • 소재연구데이터 DB구축과 자연어 처리를 위한 소재연구데이터 처리 및 분석 용역, 한국표준과학연구원 (2021-2022)
  • DEVELOPMENT OF NOVEL RESISTANCE SWITCHING MATERIALS BY USING FIRST-PRINCIPLES-BASED HIGH-THROUGHPUT CALCULATION PLATFORM COMBINED WITH MACHINE-LEARNING, 재단법인한국연구재단 (2022-2023)
  • ACCELERATED MATERIALS DESIGN OF PROTONIC CERAMIC ELECROLYSIS CELL(PCEC) USING FIRST-PRINCIPLES CALCULATIONS AND MACHINE LEARNING, 광주과학기술원 (2022-2022)
  • 4.0022785_이월과제, 충북대학교 산학협력단 (2022-2022)
  • DEVELOPMENT OF DATA MINING TECHNICOLOGY FOR AUTOMATIC COLLECTION OF MATERIALS RESEARCH DATA, 재단법인한국연구재단 (2022-2023)
  • 4.0021316/4.0022187_이월과제, 재단법인한국연구재단 (2022-2023)
  • AI 기반 초임계 소재, 한국산업기술기획평가원 (2022-2022)
  • 4.0022723_이월과제, 재단법인한국연구재단 (2022-2023)
  • 머신러닝포텐셜 기반 HFO2강유전체의 도메인장벽 이동현상의 원자단위 규명, 삼성전자(주) (2022-2023)
  • 제일원리와 머신러닝이 접목된 고속대량 스크리닝 플랫폼을 이용한 RERAM 신물질 개발, 재단법인한국연구재단 (2023-2024)
  • 제일원리 계산 및 기계 학습을 이용한 프로톤 전도성 수전해 셀의 전해질/공기극 소재 최적화, 재단법인한국연구재단 (2023-2023)
  • AI 기반 초임계 소재, 한국산업기술기획평가원 (2023-2023)
  • 4.24632_이월과제, 한국산업기술기획평가원 (2023-2023)
  • 제일원리 계산 및 기계 학습을 이용한 프로톤 전도성 수전해 셀의 전해질/공기극 소재 최적화, 재단법인한국연구재단 (2023-2023)
  • 4.0023329_이월과제, 재단법인한국연구재단 (2023-2024)
  • 소재 연구데이터 자동 수집을 위한 데이터 마이닝 기술 개발, 재단법인한국연구재단 (2023-2024)
  • 100TB 고집적 FJ 초저전력 반도체 슈퍼컴퓨팅 실시간 모사 기술 연구, 재단법인한국연구재단 (2023-2023)
  • 소재 연구데이터 자동 수집을 위한 데이터 마이닝 기술 개발, 재단법인한국연구재단 (2023-2024)
  • 머신러닝 포텐셜 기반 HFO2 강유전체의 도메인 장벽 이동 현 상의 원자 단위 규명, 삼성전자(주) (2023-2024)
  • 100TB 고집적 FJ 초저전력 반도체 슈퍼컴퓨팅 실시간 모사 기술 연구, 재단법인한국연구재단 (2024-2024)
  • [삭제] 제일원리 계산 및 기계 학습을 이용한 프로톤 전도성 수전해 셀의 전해질/, 재단법인한국연구재단 (2024-2024)
  • 4.0026985_이월과제, 재단법인한국연구재단 (2024-2024)
  • 4.0026645_이월과제, 재단법인한국연구재단 (2024-2024)
  • 제일원리 계산 및 기계 학습을 이용한 프로톤 전도성 수전해 셀의 전해질, 재단법인한국연구재단 (2024-2024)
  • 소재 연구데이터 자동 수집을 위한 데이터 마이닝 기술 개발, 한국표준과학연구원 (2024-2024)
  • R&D DATA AL 활용 체계 구축을 위한 원자재 비율 최적화 머신러닝(ML) 모델 개발, (주)두산전자사업 수지 (2024-2025)
  • 「소재 연구데이터 생태계 플랫폼」 기반 구축, 재단법인한국연구재단 (2024-2024)
  • IN-MEMORY 컴퓨팅용 강유전체 개발을 위한 전주기 AI 기술, 재단법인한국연구재단 (2024-2024)
  • MLP/MD/DFT 기반 GLASS 첨가제 조성 추천, 엘지이노텍(주) (2024-2025)
  • IN-MEMORY 컴퓨팅용 강유전체 개발을 위한 전주기 AI 기술, 재단법인한국연구재단 (2025-2025)
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