PUBLICATIONS

See Google Scholar Citations for citations.

⁺Equal contributions; *Corresponding

2024

Unraveling Oxygen Vacancy-Driven Catalytic Selectivity and Hot Electron Generation on Heterointerfaces Using Nanostructured Platform

GR Lee⁺, K Song⁺, D Hong⁺, J Ahn, Y Roh, M Kim, D Kim*, YS Jung*, JY Park*

Submitted

pdf | website

OCTOPUS: Operation Control System for Task Optimization and Job Parallelization via a User-Optimal Scheduler

HJ Yoo, KY Lee*, D Kim*, SS Han*

Submitted

pdf | website

Heteroenergetic TaOx-Carbon Support for Ultra-Durable Fuel Cell Operations

S Choi⁺, D Hong⁺, J Yoo, C Lee, K Bang, JM Kim, SS Han*, D Kim*, HM Lee*

Submitted

pdf | website

Unleashing the Indirect-gap Constraint of GaP: A Violet-emitting ZnS/GaP Quantum Shell with a High Photoluminescence Quantum Yield

HJ Shin⁺, D Hong⁺, H Cho, KM Song, GY Kim, MJ Choi*, D Kim*, YS Jung*

Submitted

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Bespoke Metal Nanoparticle Synthesis at Room Temperature and Discovery of Chemical Knowledge on Nanoparticle Growth Via Autonomous Experimentations

HJ Yoo⁺, N Kim⁺, HS Lee, DH Kim, L Tiong, CS Kim, SY Lee, KY Lee*, D Kim*, SS Han*

Advanced Functional Materials (2024) In Press

pdf | website | Featured in YTN, 유투브 쇼츠, 매일경제 등 12건

Inverse Design for Materials Discovery from Multidimensional Electronic Density of States

K Bang⁺, J Kim⁺, D Hong⁺, D Kim*, SS Han*

Journal of Materials Chemistry A 12, 6004 (2024)

pdf | website

Machine Vision-based Detections of Transparent Chemical Vessels Toward the Safe Automations of Material Synthesis

L Tiong⁺, HJ Yoo⁺, NY Kim, KY Lee*, SS Han*, D Kim*

npj Computational Materials 10, 42 (2024)

pdf | website

2023

Deep Learning of Electrochemical CO₂ Conversion Literature Reveals Research Trends and Directions

J Choi⁺, K Bang⁺, S Jang, JW Choi, J Ordonez, D Buttler, A Hiszpanski, TYJ Han, SS Sohn, B Lee, KR Lee, SS Han*, D Kim*

Journal of Materials Chemistry A 11, 17628 (2023)

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Efficient and Sustainable Water Electrolysis Achieved by Excess Electron Reservoir Enabling Charge Replenishment to Catalysts

GR Lee⁺, J Kim⁺, D Hong⁺, YJ Kim, HJ Han, H Jang, CG Hwang, D Kim*, JY Kim*, YS Jung*

Nature Communications 14:5402 (2023)

pdf | website | Featured in 조선비즈, 동아사이언스 등 30건

Machine Learning Filters Out Efficient Electrocatalysts in the Massive Ternary Alloy Space for Fuel Cells

Y Park⁺, CK Hwang⁺, K Bang, D Hong, H Nam, SH Kwon, BC Yeo, D Go, J An, BK Ju, SH Kim, JY Byun, SY Lee, JM Kim*, D Kim*, SS Han*, HM Lee*

Applied Catalysis B: Environmental 339, 123128 (2023)

pdf | website | Featured in 중앙일보, 연합뉴스, 동아사이언스 등 14건

Machine Learning-Enabled Exploration of the Electrochemical Stability of Real-Scale Metallic Nanoparticles

K Bang, D Hong, Y Park, D Kim*, SS Han*, HM Lee*

Nature Communications 14:3004 (2023)

pdf | website | Featured in 연합뉴스, 동아사이언스, 인공지능신문 등 12건

Predicting Failure Progressions of Structural Material via Deep Learning Based on Void Topology

L Tiong⁺, G Lee⁺, GH Yi, SS Sohn*, D Kim*

Acta Materialia 250, 118862 (2023)

pdf | website

Atomistic Origin of Mechanochemical NH₃ Synthesis on Fe Catalysts

HW Lee⁺, GU Jeong⁺, MC Kim, D Kim*, SY Kim*, SS Han*

International Journal of Hydrogen Energy 48, 3931 (2023)

pdf | website

2022

소재 신(新)연구방법론

정두엽, 조유진 (원고작성: 한상수, 김동훈, 이노도)

KISTEP브리프, Vol.14 (발행기관: KISTEP 성장동력사업센터)

2021

Three-in-One Strategy to Improve both Catalytic Activity and Selectivity: Nonconcentric Pd-Au Nanoparticles

HW Lee⁺, E Jung⁺, GH Han⁺, MC Kim, D Kim, KY Lee*, SS Han*, T Yu*

The Journal of Physical Chemistry Letters 12, 11098 (2021)

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Deep Learning-Based Prediction of Material Properties Using Chemical Compositions and Diffraction Patterns as Experimentally Accessible Inputs

J Kim⁺, L Tiong⁺, D Kim*, SS Han*

The Journal of Physical Chemistry Letters 12, 8376 (2021)

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High-Throughput Computational-Experimental Screening Protocol for the Discovery of Bimetallic Catalysts

BC Yeo⁺, H Nam⁺, H Nam, MC Kim, HW Lee, D Kim, KY Lee, SY Lee*, SS Han*

npj Computational Materials 7, 137 (2021)

pdf | website

AI로봇이 스스로 소재를 개발한다고?

한상수, 김동훈

융합연구리뷰, Vol.7 No.5 (발행기관: KIST 융합연구정책센터)

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Accelerated Mapping of Electronic Density of State Patterns of Metallic Nanoparticles Via Machine-Learning

K Bang, BC Yeo, D Kim, SS Han*, HM Lee*

Scientific Reports 11, 11604 (2021)

pdf | website

Solid-Solution Alloying of Immiscible Pt and Au Boosts Catalytic Performance of H₂O₂ Direct Synthesis

HW Lee⁺, H Nam⁺, GH Han⁺, YH Cho, BC Yeo, D Kim*, KY Lee*, SY Lee*, SS Han*

Acta Materialia 205, 116563 (2021)

pdf | website

2020

Identification of Crystal Symmetry from Noisy Diffraction Patterns by A Shape Analysis and Deep Learning

L Tiong⁺, J Kim⁺, SS Han*, D Kim*

npj Computational Materials 6, 196 (2020)

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Hydrogen-Bonding-Mediated Enhancements of Bio-Inspired Electrochemical Nitrogen Reduction on Cu_2-xS Catalysts

MC Kim⁺, HJ Nam⁺, JH Choi⁺, HS Kim, HW Lee, D Kim, J Kong, SS Han*, SY Lee*, HS Park*

ACS Catalysis 10, 10577 (2020)

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Mapping Point Defects of Brookite TiO₂ for Photocatalytic Activity Beyond Anatase Phase and P25

H Choi*, S Khan, M Je, D Kim, S Lee, SH Cho*, T Song*

The Journal of Physical Chemistry C 124, 10376 (2020)

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Self-Assembled Heterojunction of Metal Sulfides for Improved Photocatalysis

S Khan, H Choi, D Kim, SY Lee, Q Zhu, J Zhang, S Kim*, SH Cho*

Chemical Engineering Journal 395, 125092 (2020)

pdf | website

인공지능 기반 소재설계 연구동향

한상수, 김동훈

재료마당, Vol.33 No.1 50-65 (발행기관: 대한금속재료학회)

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Artificial Intelligence to Accelerate the Discovery of N₂ Electroreduction Catalysts

M Kim⁺, BC Yeo⁺, Y Park, HM Lee, SS Han*, D Kim*

Chemistry of Materials 32, 709 (2020)

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2019

Electronic Structural Origin of the Catalytic Activity Trend of Transition Metals for Electrochemical Nitrogen Reduction

BC Yeo⁺, J Kong⁺, D Kim, WA Goddard III, HS Park*, SS Han*

The Journal of Physical Chemistry C 123, 31026 (2019)

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Suppressing Interfacial Dipoles to Minimize Open-Circuit Voltage Loss in Quantum Dot Photovoltaics

H Lim⁺, D Kim⁺, MJ Choi, EH Sargent, YS Jung*, JY Kim*

Advanced Energy Materials 9, 1901938 (2019)

Selected as a Front Cover Article

pdf | website | cover image | KISToday cover | Featured in 연합뉴스

Unlocking the Potential of Nanoparticles Composed of Immiscible Elements for Direct H₂O₂ Synthesis

D Kim⁺, H Nam⁺, YH Cho⁺, BC Yeo⁺, SH Cho, JP Ahn, KY Lee*, SY Lee*, SS Han*

ACS Catalysis 9, 8702 (2019)

pdf | website

Medium-Range Order in Amorphous Ices Revealed by Persistent Homology

S Hong, D Kim*

Journal of Physics: Condensed Matter 31, 455403 (2019)

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Pattern Learning Electronic Density of States

BC Yeo, D Kim, CS Kim, SS Han*

Scientific Reports 9, 5879 (2019)

pdf | website

인공지능, 소재개발에 침투하다

한상수, 김동훈

융합연구리뷰, Vol.5 No.1 (발행기관: KIST 융합연구정책센터)

pdf | website

2018

Engineering the Work Function of Solution-Processed Electrodes of Silver Nanocrystal Thin Film through Surface Chemistry Modification

M Seong, H Kim, SW Lee, D Kim*, SJ Oh*

APL Materials 6, 121105 (2018)

pdf | website

Atomistic Sodiation Mechanism of Phosphorene-Graphene Heterostructure for Sodium-Ion Batteries Determined by First-Principles Calculations

HW Lee, H Jung, BC Yeo, D Kim, SS Han*

The Journal of Physical Chemistry C 122, 20653 (2018)

pdf | website

빅데이터와 소재연구

김동훈, Hiroshi Mizuseki, 이광렬

소재기술백서2017, Chapter 4-1 (발행기관: 한국재료연구소)

pdf | website

Electron-hole Separations in Ferroelectric Oxides for Efficient Photovoltaic Responses

D Kim, H Han, JH Lee, JW Choi, JC Grossman, HM Jang*, D Kim*

Proceedings of the National Academy of Sciences (PNAS) 115, 6566 (2018)

pdf | website | Featured in 뉴스웍스, 대덕넷

Origins of the Stokes Shift in PbS Quantum Dots: Impact of Polydispersity, Ligands, and Defects

Y Liu⁺, D Kim⁺, OP Morris, D. Zhitomirsky, JC Grossman*

ACS Nano 12, 2838 (2018)

pdf | website | Featured in Advances in Engineering, 동아사이언스

2017

β-CuGaO₂ as a Strong Candidate Material for Efficient Ferroelectric Photovoltaics

S Song⁺, D Kim⁺, HM Jang*, BC Yeo, SS Han, CS Kim, JF Scott

Chemistry of Materials 29, 7596 (2017)

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Impact of Mg-Doping Site Control in the Performance of Li₄Ti₅O₁₂ Li-Ion Battery Anode: First-Principles Predictions and Experimental Verifications

H Cho, H Son, D Kim, M Lee, S Boateng, H Choi*, T Song*, KH Lee*

The Journal of Physical Chemistry C 121, 14994 (2017)

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Defect Engineering Toward Strong Photocatalysis of Nb-Doped Anatase TiO₂: Computational Predictions and Experimental Verifications

S Khan, H Cho, D Kim, SS Han, KH Lee, SH Cho*, T Song*, H Choi*

Applied Catalysis B: Environmental 206, 520 (2017)

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Dissimilar Anisotropy of Electron Versus Hole Bulk Transport in Anatase TiO₂: Implications for Photocatalysis

D Kim, BC Yeo, D Shin, H Choi, S Kim, N Park, SS Han*

Physical Review B 95, 045209 (2017)

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2016 & Before

High-Throughput Screening to Investigate the Relationship between the Selectivity and Working Capacity of Porous Materials for Propylene/Propane Adsorptive Separation

BC Yeo, D Kim, H Kim, SS Han*

The Journal of Physical Chemistry C 120, 24224 (2016)

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Photovoltaic Performance of PbS Quantum Dots Treated with Metal Salts

DK Ko, A Maurano, SK Suh, D Kim, GW Hwang, JC Grossman, V Bulovic*, MG Bawendi*

ACS Nano 10, 3382 (2016)

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Identifying and Eliminating Emissive Sub-Bandgap States in Thin Films of PbS Nanocrystals

GW Hwang, D Kim, JM Cordero, MWB Wilson, CHM Chuang, JC Grossman, MG Bawendi*

Advanced Materials 27, 4481 (2015)

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Energy Level Modification in Lead Sulfide Quantum Dot Thin Films through Ligand Exchange

PR Brown⁺, D Kim⁺, RR Lunt, N Zhao, MG Bawendi, JC Grossman*, V Bulovic*

ACS Nano 8, 5863 (2014)

pdf | website | Featured in MIT News, Nanowerk News

Role of Ultrathin Metal Fluoride Layer in Organic Photovoltaic Cells: Mechanism of Efficiency and Lifetime Enhancement

KG Lim, MR Choi, JH Kim, D Kim, GH Jung, Y Park*, JL Lee, TW Lee*

ChemSusChem 7, 1125 (2014)

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Impact of Stoichiometry on the Electronic Structure of PbS Quantum Dots

D Kim, DH Kim, JH Lee, JC Grossman*

Physical Review Letters 110, 196802 (2013)

pdf | website | Featured in MIT News

Controlling Surface Enrichment in Polymeric Hole Extraction Layers to Achieve High-Efficiency Organic Photovoltaic Cells

D Kim, KG Lim, JH Park, TW Lee*

ChemSusChem 5, 2053 (2012)

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Approaches Toward Efficient and Stable Electron Extraction Contact in Organic Photovoltaic Cells: Inspiration from the Organic Light-Emitting Diodes

TW Lee*, KG Lim, D Kim

Electronic Materials Letters 6, 4150 (2010)

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Curvilinear Electronics Formed Using Silicon Nanomembrane Circuits and Elastomeric Transfer Elements

HC Ko, G Shin, S Wang, M Stoykovich, JW Lee, D Kim, JS Ha*, Y Huang*, KC Hwang, JA Rogers*

Small 5, 2703 (2009)

Selected as a Front Cover Article

pdf | website | cover image