이화여자대학교

Sangheon Lee Associate Professor

Department of Chemical Engineering & Materials Science/HOKMA College of General Education/ Graduate Program in System Health and Engineering

이상헌 프로필 사진 
The Quantum Chemical Engineering Laboratory aims at the development and application of hierarchical and ab initio based multiscale methods which allow to simulate advanced materials for batteries, catalysts, and semiconductors with hitherto unprecedented accuracy.

My mission is to provide new scientific theories and perspectives that can be applicable to the development of advanced energy materials and innovation in semiconductor chemical processes by combining traditional chemical engineering with quantum chemistry and  state-of-the-art computational methods. My research group offers research opportunities for students interested in theoretical, computational, or experimental work or a combination of these.

Main Focus: 
Ab initio based thermodynamics and kinetics, Scale-bridging computer simulations, Electrode and electrolyte materials for Li-ion battery, Atomic layer etching for semiconductor fabrication, Theory on catalyst for hydrogen and fuel cell technology
  • Department Chair, Chemical Engineering and Materials Science/Department Chair, Chemical Engineering and Materials Science
  • Research Cooperation Building #354
  • 02-3277-4055
  • Office hours
    • 전화 또는 이메일 일정 확인
  • Research Interests
    • Quantum Chemical Engineering, Li-Ion Battery, Artificial Intelligence (AI), Atomic Layer Etching, Hydrogen
Research Record
  • Controlled charge injection into nitrogen for efficient electrochemical nitrogen reduction based on metal-on-boron compound catalysts JOURNAL OF MATERIALS CHEMISTRY A, 2024, v.12 no.40, 27443-27451
    SCIE Scopus dColl.
  • Energy Landscapes for Lithium Incorporation and Diffusion in Multidomain Silicon Suboxide Anode Materials ACS APPLIED MATERIALS & INTERFACES, 2023, v.15 no.49, 57059-57069
    SCIE Scopus dColl.
  • Thermal atomic layer etching of cobalt using plasma chlorination and chelation with hexafluoroacetylacetone APPLIED SURFACE SCIENCE, 2023, v.619, 156751
    SCIE Scopus dColl.
  • Bandgap modulation in the two-dimensional core-shell-structured monolayers of WS2 iScience, 2022, v.25 no.1, 103563
    SCIE Scopus dColl.
  • Oxygen promoter on copper-silver coupling for electrochemical carbon dioxide reduction catalysts Applied Surface Science, 2022, v.573, 151532
    SCIE Scopus dColl.
  • Revisiting Solvent-Dependent Roles of the Electrolyte Counteranion in Li-O-2 Batteries upon CO2 Incorporation ACS APPLIED ENERGY MATERIALS, 2022, v.5 no.2, 2150-2160
    SCIE Scopus dColl.
  • Agent molecule modulated low-temperature activation of solid-state lithium-ion transport for polymer electrolytes Journal of Power Sources, 2021, v.505, 229917
    SCIE Scopus dColl.
  • Modeling Electron-Transfer Degradation of Organic Light-Emitting Devices ADVANCED MATERIALS, 2021, v.33 no.12, 2003832
    SCIE Scopus dColl.
  • Three-dimensional atomic mapping of ligands on palladium nanoparticles by atom probe tomography NATURE COMMUNICATIONS, 2021, v.12 no.1, 4301
    SCIE Scopus dColl.
  • Ab initio-based structural and thermodynamic aspects of the electrochemical lithiation of silicon nanoparticles Catalysts, 2020, v.10 no.1, 8
    SCIE Scopus dColl.
  • Thermodynamic Margin in Carbon Network Modulated Activity Control of Oxygen Reduction Reaction Iron Catalyst JOURNAL OF PHYSICAL CHEMISTRY C, 2020 , 26982-26989
    SCIE Scopus dColl.
  • Transition-Metal Softener for High-Durability Hydrogen Separation Silica Membranes Journal of Physical Chemistry C, 2019, v.123 no.42, 25761-25768
    SCIE Scopus dColl.
  • Molecule-Driven Shape Control of Metal Co-Catalysts for Selective CO2 Conversion Photocatalysis ChemCatChem, 2018, v.10 no.24, 5679-5688
    SCIE Scopus dColl.
  • Role of Heteronuclear Interactions in Selective H-2 Formation from HCOOH Decomposition on Bimetallic Pd/M (M = Late Transition FCC Metal) Catalysts ACS CATALYSIS, 2017, v.7 no.4, 2553-2562
    SCIE Scopus dColl.
  • Impact of d-Band Occupancy and Lattice Contraction on Selective Hydrogen Production from Formic Acid in the Bimetallic Pd3M (M = Early Transition 3d Metals) Catalysts ACS CATALYSIS, 2016, v.6 no.1, 134-142
    SCIE Scopus dColl.
  • Low-coordinated surface atoms of CuPt alloy cocatalysts on TiO2 for enhanced photocatalytic conversion of CO2 Nanoscale, 2016, v.8 no.19, 10043-10048
    SCIE Scopus dColl.
  • Direct Cd-to-Pb Exchange of CdSe Nanorods into PbSe/CdSe Axial Heterojunction Nanorods CHEMISTRY OF MATERIALS, 2015, v.27 no.15, 5295-5304
    SCIE Scopus dColl.
  • Effects of Carbohydrates on the Hydrodeoxygenation of Lignin-Derived Phenolic Compounds ACS CATALYSIS, 2015, v.5 no.1, 433-437
    SCIE Scopus dColl.
  • Role of biaxial strain and microscopic ordering for structural and electronic properties of InxGa1-xN PHYSICAL REVIEW B, 2015, v.92 no.8, 85204
    Scopus dColl.
  • [학술지논문] Controlled charge injection into nitrogen for efficient electrochemical nitrogen reduction based on metal-on-boron compound catalysts JOURNAL OF MATERIALS CHEMISTRY A, 2024, v.12 no.40 , 27443-27451
    SCIE
  • [학술지논문] Energy Landscapes for Lithium Incorporation and Diffusion in Multidomain Silicon Suboxide Anode Materials ACS APPLIED MATERIALS & INTERFACES, 2023, v.15 no.49 , 57059-57069
    SCIE
  • [학술지논문] Bandgap modulation in the two-dimensional core-shell-structured monolayers of WS2 iScience, 2022, v.25 no.1 , 103563-103563
    SCIE
  • [학술지논문] Oxygen promoter on copper-silver coupling for electrochemical carbon dioxide reduction catalysts APPLIED SURFACE SCIENCE, 2022, v.573 no.0 , 151532-151532
    SCI
  • [학술지논문] Revisiting Solvent-Dependent Roles of the Electrolyte Counteranion in Li-O-2 Batteries upon CO2 Incorporation ACS APPLIED ENERGY MATERIALS, 2022, v.5 no.2 , 2150-2160
    SCIE
  • [학술지논문] Agent molecule modulated low-temperature activation of solid-state lithium-ion transport for polymer electrolytes JOURNAL OF POWER SOURCES, 2021, v.505 no.0 , 229917-229917
    SCI
  • [학술지논문] Modeling Electron-Transfer Degradation of Organic Light-Emitting Devices ADVANCED MATERIALS, 2021, v.33 no.12 , 2003832-2003832
    SCI
  • [학술지논문] Three-dimensional atomic mapping of ligands on palladium nanoparticles by atom probe tomography NATURE COMMUNICATIONS, 2021, v.12 no.1 , 4301-4301
    SCI
  • [학술지논문] Ab Initio-Based Structural and Thermodynamic Aspects of the Electrochemical Lithiation of Silicon Nanoparticles CATALYSTS, 2020, v.10 no.1 , 8-8
    SCIE
  • [학술지논문] Thermodynamic Margin in Carbon Network Modulated Activity Control of Oxygen Reduction Reaction Iron Catalyst JOURNAL OF PHYSICAL CHEMISTRY C, 2020, v.124 no.49 , 26982-26989
    SCI
  • [학술지논문] Transition-Metal Softener for High-Durability Hydrogen Separation Silica Membranes JOURNAL OF PHYSICAL CHEMISTRY C, 2019, v.123 no.42 , 25761-25768
    SCI
  • [학술지논문] Molecule-Driven Shape Control of Metal Co-Catalysts for Selective CO2 Conversion Photocatalysis CHEMCATCHEM, 2018, v.10 no.24 , 5679-5688
    SCIE
  • [학술지논문] Role of Heteronuclear Interactions in Selective H-2 Formation from HCOOH Decomposition on Bimetallic Pd/M (M = Late Transition FCC Metal) Catalysts ACS CATALYSIS, 2017, v.7 no.4 , 2553-2562
    SCIE
  • [학술지논문] Impact of d-Band Occupancy and Lattice Contraction on Selective Hydrogen Production from Formic Acid in the Bimetallic Pd3M (M = Early Transition 3d Metals) Catalysts ACS CATALYSIS, 2016, v.6 no.1 , 134-142
    SCIE
  • [학술지논문] Low-coordinated surface atoms of CuPt alloy cocatalysts on TiO2 for enhanced photocatalytic conversion of CO2 NANOSCALE, 2016, v.8 no.19 , 10043-10048
    SCI
  • [학술지논문] Direct Cd-to-Pb Exchange of CdSe Nanorods into PbSe/CdSe Axial Heterojunction Nanorods CHEMISTRY OF MATERIALS, 2015, v.27 no.15 , 5295-5304
    SCI
  • [학술지논문] Effects of Carbohydrates on the Hydrodeoxygenation of Lignin-Derived Phenolic Compounds ACS CATALYSIS, 2015, v.5 no.1 , 433-437
    SCIE
  • [학술지논문] Enhanced selectivity to H2 formation in decomposition of HCOOH on the Ag19@Pd60 core-shell nanocluster from first-principles Journal of Nanoscience and Nanotechnology, 2015, v.15 no.10 , 8233-8237
    SCI
  • [학술지논문] Role of biaxial strain and microscopic ordering for structural and electronic properties of InxGa1-xN PHYSICAL REVIEW B, 2015, v.92 no.8 , 0852041-0852046
    SCI
  • [학술발표] Ab Initio Tomography Analysis of Lithium Incorporation and Diffusion in Multidomain Silicon Suboxide Anode Materials 245th ECS Meeting, 미국, 샌프란시스코, 2024-05-27 245th ECS Meeting Abstract, 2024
  • [학술발표] Atomistic Scale Analysis of Motion and Dynamics of Li-Ion in Li-Zn-Zr-S Compound Electrolyte 241st ECS Meeting, 캐나다, 밴쿠버, 2022-05-31 241st ECS Meeting Abstracts, 2022
  • [학술발표] Computation-Based Investigation of Motion and Dynamics of Lithium in Phase Separated Silicon-Oxide Anode Materials 241st ECS Meeting, 캐나다, 2022-05-31 241st ECS Meeting Abstracts, 2022
  • [학술발표] Role of Agent Molecules for Low-Temperature Activation of Lithium-Ion Transport for Solid-State Polymer Electrolytes 241st ECS Meeting, 캐나다, 밴쿠버, 2022-05-30 241st ECS Meeting Abstracts, 2022
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Courses

  • 2025-1st

    • HOKMA Seminar

      • Subject No 11302Class No 18
      • 1Year ( 1Credit , 1Hour) Mon 7~7
        • Syllabus(File)

    • Chemical Engineering Fluid Mechanics

      • Subject No 37509Class No 01
      • 3Year ( 3Credit , 3Hour) Wed 3~3 (ENG A) , Fri 2~2 (101)
      • Major Requisite
        • Syllabus(File)

    • Chemical Engineering Lab Ⅱ

      • Subject No 37516Class No 01
      • 3Year ( 3Credit , 4.5Hour) Fri 6~6 (ENG ) , Fri 7~8 (151)
      • Major Requisite Exchange students are not allowed
        • Syllabus(File)

    • Semiconductor Process

      • Subject No 39352Class No 01
      • 4Year ( 3Credit , 3Hour) Mon 2~2 (ENG ) , Thu 3~3 (159)
        • Syllabus(File)

    • Advanced Convergent Materials for System Healthcare

      • Subject No G18278Class No 01
      • Year ( 3Credit , 3Hour) Thu 6~7 (ENG )
        • Syllabus(File)

    • Global Internship Ⅰ

      • Subject No G18282Class No 01
      • Year ( 3Credit , 3Hour) Mon 4~5
        • Syllabus(File)

  • 2024-2nd

    • Chemical Engineering Thermodynamics

      • Subject No 37508Class No 01
      • 2Year ( 3Credit , 3Hour) Tue 3~3 (ENG ) , Thu 2~2 (161)
        • Syllabus(File)

    • Data Science

      • Subject No G18080Class No 01
      • Year ( 3Credit , 3Hour) Fri 2~3 (ENG )
        • Syllabus(File)

  • 2024-1st

    • HOKMA Seminar

      • Subject No 11302Class No 17
      • 1Year ( 1Credit Thu 7~7 (ECC)
        • Syllabus(File)

    • Chemical Engineering Fluid Mechanics

      • Subject No 37509Class No 01
      • 3Year ( 3Credit , 3Hour) Tue 4~4 (ESEA) , Fri 5~5 (CH)
      • Major Requisite
        • Syllabus(File)

    • Chemical Engineering Lab Ⅱ

      • Subject No 37516Class No 01
      • 3Year ( 3Credit , 4.5Hour) Fri 6~8 (ENG )
        • Syllabus(File)

    • Semiconductor Chemical Processes

      • Subject No 39352Class No 01
      • 4Year ( 3Credit , 3Hour) Wed 3~3 (POSCO153) , Fri 2~2 (POSCO153)
        • Syllabus(File)

    • Introduction to System Health

      • Subject No G18067Class No 01
      • Year ( 3Credit , 3Hour) Thu 7~8
        • Syllabus(File)

    • Advanced Convergent Materials for System Healthcare

      • Subject No G18278Class No 01
      • Year ( 3Credit , 3Hour) Tue 6~7 (ENG )
        • Syllabus(File)

    • Introduction to System Health

      • Subject No G18441Class No 01
      • Year ( 3Credit , 3Hour) Thu 7~8
      • Professor Changed
        • Syllabus(File)

  • 2023-2nd

  • 2023-1st

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Academic Background

University of Texas at Austin Ph.D.(Chemical Engineering)

Seoul Nat'l Univ. 공학사(응용화학부)

Work Experience

Max-Planck-Institut fuer Eisenforchung 2011-03-15 ~ 2013-03-31

한국과학기술연구원 2013-11-01 ~ 2015-09-30

Department Chair, Chemical Engineering and Materials Science 2024-02-01 ~ 2026-01-31

화공신소재공학과장 2024-03-01 ~ 2026-01-31

Lotte Chemical 2004-01-01 ~ 2004-07-21