EWHA WOMANS UNIVERSITY | Undergraduate/Graduate | Undergraduate | ELTEC College of Engineering

Sangheon Lee Associate Professor

Department of Chemical Engineering and Materials Science/

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 
- Ab initio based 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
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

A Density-Functional Theory Study on Mechanisms of the Electrochemical Nitrogen Reduction Reaction on the Nickel(100) Surface; [범밀도함수이론에 기초한 니켈(100) 표면에서의 전기화학적 질소환원반응 메커니즘에 관한 연구] Korean Chemical Engineering Research, 2023, v.61 no.4, 604-610
Scopus KCI 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.
First-Principles Analysis of Nitrogen Reduction Reactions on Ruthenium Catalyst Surfaces for Electrochemical Ammonia Synthesis; [전기화학적 암모니아 합성을 위한 루테늄 촉매 표면에서의 질소 환원반응 메커니즘 해석의 위한 제1원리 모델링] Korean Chemical Engineering Research, 2023, v.61 no.4, 598-603
Scopus KCI 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] A Density-Functional Theory Study on Mechanisms of the Electrochemical Nitrogen Reduction Reaction on the Nickel(100) Surface Korean Chemical Engineering Research, 2023, v.61 no.4 , 604-610
Scopus
[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] First-Principles Analysis of Nitrogen Reduction Reactions on Ruthenium Catalyst Surfaces for Electrochemical Ammonia Synthesis Korean Chemical Engineering Research, 2023, v.61 no.4 , 598-603
Scopus
[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] 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

2024-1st
- HOKMA Seminar
  - Subject No 11302Class No 17
  - 1Year ( 1Credit Thu 7~7 (ECC)
- Chemical Engineering Fluid Mechanics
  - Subject No 37509Class No 01
  - 3Year ( 3Credit , 3Hour) Tue 4~4 (ESEA) , Fri 5~5 (CH)
  - Major Requisite
- Chemical Engineering Lab Ⅱ
  - Subject No 37516Class No 01
  - 3Year ( 3Credit , 4.5Hour) Fri 6~8 (ENG )
- Semiconductor Chemical Processes
  - Subject No 39352Class No 01
  - 4Year ( 3Credit , 3Hour) Wed 3~3 (POSCO153) , Fri 2~2 (POSCO153)
- Introduction to System Health
  - Subject No G18067Class No 01
  - Year ( 3Credit , 3Hour) Thu 7~8
- Advanced Convergent Materials for System Healthcare
  - Subject No G18278Class No 01
  - Year ( 3Credit , 3Hour) Tue 6~7 (ENG )
- Introduction to System Health
  - Subject No G18441Class No 01
  - Year ( 3Credit , 3Hour) Thu 7~8
  - Professor Changed
2023-2nd
- Chemical Engineering Thermodynamics
  - Subject No 37508Class No 01
  - 2Year ( 3Credit , 3Hour) Tue 3~3 (ENG ) , Thu 2~2 (161)
- Heat and Mass Transfer
  - Subject No 37515Class No 01
  - 3Year ( 3Credit , 3Hour) Tue 2~2 (ENG ) , Fri 3~3 (161)
- Capstone Design in Chemical Engineering and Materials Science 강의 계획서 상세보기
  - Subject No 37539Class No 01
  - 4Year ( 3Credit , 4.5Hour) Thu 4~6 (ENG A)
2023-1st
- Chemical Engineering Fluid Mechanics
  - Subject No 37509Class No 01
  - 3Year ( 3Credit , 3Hour) Tue 4~4 (ESEA) , Fri 5~5 (CH)
  - Major Requisite
- Chemical Engineering LabⅡ 강의 계획서 상세보기
  - Subject No 37516Class No 03
  - 3Year ( 3Credit , 4.5Hour) Tue 6~8 (ENG )
- Numerical Analysis in Chemical Engineering 강의 계획서 상세보기
  - Subject No 37517Class No 01
  - 4Year ( 3Credit , 3Hour) Mon 6~6 (ENG ) , Wed 5~5 (151)
- Introduction to System Health 강의 계획서 상세보기
  - Subject No G18067Class No 01
  - Year ( 3Credit , 3Hour) Thu 7~8
- Advanced convergent materials for system healthcare
  - Subject No G18278Class No 01
  - Year ( 3Credit , 3Hour) Thu 3~4 (ENG )
- Introduction to System Health
  - Subject No G18441Class No 01
  - Year ( 3Credit , 3Hour) Thu 7~8
2021-2nd
- Chemical Engineering Thermodynamics
  - Subject No 37508Class No 01
  - 2Year ( 3Credit , 3Hour) Tue 2~2 , Fri 3~3
- Engineering Physical Chemistry II
  - Subject No 37836Class No 01
  - 2Year ( 3Credit , 3Hour) Mon 2~2 , Thu 3~3
- Data Science
  - Subject No G18080Class No 01
  - Year ( 3Credit , 3Hour) Tue 6~7 (-)
  - Class Hour Changed
- Global Internship I
  - Subject No G18197Class No 01
  - Year ( 3Credit , 3Hour) Fri 6~7 (ENG )
2021-1st
- Chemical Engineering Fluid Mechanics
  - Subject No 37509Class No 01
  - 3Year ( 3Credit , 3Hour) Wed 3~3 , Fri 2~2
- Chemical Engineering LabⅡ
  - Subject No 37516Class No 03
  - 3Year ( 3Credit , 4.5Hour) Tue 5~7 (ENG )
- Numerical Analysis in Chemical Engineering
  - Subject No 37517Class No 01
  - 4Year ( 3Credit , 3Hour) Mon 2~2 , Thu 3~3
  - Language Changed

Academic Background

The 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

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

List

ELTEC College of Engineering

Sangheon Lee Associate Professor

Research Record

Courses

Academic Background

Work Experience