한양맞춤의약연구원

Research Objectives

연구목표

Understanding Structure-Property Relationship for Energy Materials Discovery & Design

Material Property Prediction and Design Using Multiscale Computational Science (Density Functional Theory, Molecular Dynamics, etc.)

• Development of High-performance and Durable Electrocatalysts for Green Hydrogen Production/Utilization
• Development of Next-Generation Battery Materials
• Development of Energy Materials for Achieving Carbon Neutrality
• Optimization of Advanced Semiconductor Materials/Processes

• 그린수소 생산/활용 고성능·고내구성 전기화학 촉매 개발 연구
• 차세대 배터리 소재 개발 연구
• 탄소중립 실현 에너지 소재 개발 연구
• 최첨단 반도체 소재/공정 최적화 연구

Brief Research Experience

주요경력

• Associate Professor, Dept. of Chemical and Molecular Engineering, Hanyang Univ. (2023 ~ Present)
• Principal Research Scientist, Computational Science & Engineering Lab., Korea Institute of Energy Research (2017 ~ 2023)
• Postdoctoral Researcher, Uppsala Univ. (Sweden), Dept. of Chemistry­–Ångström Lab. (2016 ~ 2017)
• Senior Engineer, Semiconductor R&D Center, Samsung Electronics Co., Ltd. (2013 ~ 2016)
• 부교수, 한양대학교 화학분자공학과 (2023 ~ 현재)
• 책임연구원, 한국에너지기술연구원 계산과학연구실 (2017 ~ 2023)
• Postdoctoral Researcher, Uppsala Univ. (Sweden), Dept. of Chemistry­–Ångström Lab. (2016 ~ 2017)
• 책임연구원, 삼성전자 반도체연구소 (2013 ~ 2016)

   수행과제

• NST - 에너지 R&D 혁신을 위한 계산과학 기반 연구
• 과기부 - 친환경 에너지 소재 멀티메소드 시뮬레이션 SaaS 플랫폼 개발 및 실증
• 산업부 - 금속소재 제조디지털혁신 플랫폼 구축
• 과기부 – 소재 연구데이터 생태계 플랫폼 기반 구축
• 과기부 – 염수 활용 Wastewater-Energy-Recycling Nexus를 위한 전하제어소재 및 공정 융합 기술 개발
• 화연 – 촉매 설계를 위한 토픽 모델링 기반의 자연어 분석 시스템 기술 개발
• 재료연 – Metal-organic framework과 메탄 분자 간 물리결합 제일원리계산
• 에너지연 – 탄화수소의 건식개질 촉매반응의 계산화학적 분석을 위한 연구용역
• 에너지연 – 니켈계 산화물 인공지능 힘장 성능 검증 및 보강 학습용 원자구조 데이터 생성

Research Areas

연구분야

• Computational Materials Science and Engineering : Density Functional Theory, Classical/Reactive Molecular Dynamics, Machine Learning
• High-performance and Durable Electrocatalysts for Green Hydrogen Production/Utilization
• Next-Generation Battery Materials
• Energy Materials for Achieving Carbon Neutrality / Advanced Semiconductor Materials/Processes
• 계산재료과학 : Density Functional Theory, Classical/Reactive Molecular Dynamics, Machine Learning
• 수전해, 연료전지 분야 전기화학 촉매
• 차세대 배터리 / 에너지저장 소재
• 탄소중립 에너지 / 반도체 소재

Thesis

논문

Synergistic Configuration of Dual Rhodium Single Atoms in Carbon Nanofibers for High-Performance Alkaline Water Electrolyzer
Natarajan Logeshwaran†, Gyuchan Kim†, Pandiarajan Thangavel, Sun Seo Jeon, Kaliannan Thiyagarajan, Kampara Roopa Kishore, Hyunjoo Lee, Inseok Seo, Hongseok Yun, Sungho Lee*, Byung-Hyun Kim*, Young Jun Lee*
Advanced Science (accepted)

Coordination Engineering of N, O Co-Doped Cu Single Atom on Porous Carbon for High Performance Zinc Metal Anodes [link]
Kyungbin Lee†, Eun Ji Kim†, Jaekyum Kim, Keun Hee Kim, Young Jun Lee, Michael J. Lee, Kun Ryu, Sangyong Shin, Jae Young Choi, Seung Ho Kwon, Hyunjoo Lee, Jung Kyu Kim, Byung-Hyun Kim*, Bumjoon J. Kim*, and Seung Woo Lee*
Advanced Energy Materials 14, 2303803 (2024)

Highly efficient water-splitting electrodes with stable operation at 3 A cm^-2 in alkaline media through molecular linker assembly-induced all-in-one structured NiMo and NiFe electrocatalysts [link]
Youhyun Son, Jeongmin Mo, Euiju Yong, Jeongyeon Ahn, Gyuchan Kim, Wonyoung Lee, Cheong Hoon Kwon, Hyun Ju, Seung Woo Lee, Byung-Hyun Kim*, Myeongjin Kim*, and Jinhan Cho*
Applied Catalysis B: Environmental 343, 123563 (2024)

An Electrochemically Active Textile Current Collector with a High Areal Capacity and a Strong Energy Recovery Effect Using an Interfacial Interaction Assembly [link]
Euiju Yong†, Donghyeon Nam†, Yangsoo Kim, Kwangsoo Kim, Byung-Hyun Kim*, Yongmin Ko*, and Jinhan Cho*
Energy Storage Materials 60, 102813 (2023)

Structure-Controlled Carbon Hosts for Dendrite-Free Aqueous Zinc Batteries [link]
Kyungbin Lee†, Young Jun Lee†, Michael J. Lee, Junghun Han, Kun Ryu, Jeong An Kwon, Eun Ji Kim, Hyewon Kang, Byung-Hyun Kim*, Bumjoon J. Kim*, and Seung Woo Lee*
Small 19, 2302334 (2023)

Rational Design of a Stable Fe-rich Ni-Fe Layered Double Hydroxide for the Industrially Relevant Dynamic Operation of Alkaline Water Electrolyzers [link]
Muhammad Mehdi, Byeong-Seon An, Haesol Kim, Sechan Lee, Changsoo Lee, Myeongmin Seo, MinWook Noh, Won-Chul Cho, Chang-Hee Kim, Chang Hyuck Choi, Byung-Hyun Kim*, MinJoong Kim*, and Hyun-Seok Cho*
Advanced Energy Materials 13, 2204403 (2023) *Inside Front Cover

Electrochemical partial reduction of Ni(OH)₂ to Ni(OH)₂/Ni via coupled oxidation of an interfacing NiAl intermetallic compound for robust hydrogen evolution [link]
Young Hwa Yun†, Kwangsoo Kim†, Changsoo Lee†, Byeong-Seon An, Ji Hee Kwon, Sechan Lee, MinJoong Kim, Jongsu Seo, Jong Hyeok Park*, Byung-Hyun Kim*, and Hyun-Seok Cho*
Journal of Energy Chemistry 82, 560 (2023)

Colossal dielectric perovskites of calcium copper titanate(CaCu₃Ti₄O₁₂) with low-iridium dopants enables ultrahigh mass activity for the acidic oxygen evolution reaction [link]
Nguyen Thi Thu Thao†, Kwangsoo Kim†, Jeong Ho Ryu†, Byeong-Seon An, Arpan Kumar Nauak, Jin Uk Jang, Kyeong-Han Na, Won-Youl Choi, Ghulam Ali, Keun Hwa Chae, Muhammad Akbar, Kyung Yoon Chung, Hyun-Seok Cho, Jong Hyeok Park, Byung-Hyun Kim*, and HyukSu Han*
Advanced Science 10, 2207695 (2023) *Inside Front Cover

A New Automated Synthesis of Coke-resistant Cs-promoted Ni-supported Nanocatalyst for Sustainable Dry Reforming of Methane [link]
Kyung Hee Oh, Jin Hee Lee, Kwangsoo Kim, Hack-Keun Lee, Shin Wook Kang, Jung-Il Yang, Jong-Ho Park, Chang Seop Hong*, Byung-Hyun Kim*, and Ji Chan Park*
Journal of Materials Chemistry A 11, 1666 (2023) *Inside Front Cover

A 3D Hierarchical Host with Enhanced Sodiophilicity Enabling Anode-Free Sodium-Metal Batteries [link]
Kyungbin Lee†, Young Jun Lee†, Michael J. Lee, Junghun Han, Jeonghoon Lim, Kun Ryu, Hana Yoon, Byung-Hyun Kim*, Bumjoon J. Kim*, and Seung Woo Lee*
Advanced Materials 34, 2109767 (2022) *Back Cover

Role of Surface Steps in Activation of Surface Oxygen Sites on Ir Nanocrystals for Oxygen Evolution Reaction in Acidic Media [link]
Myeongjin Kim†, Jinho Park†, Maoyu Wang, Qingxiao Wang, Moon J. Kim, Jin Young Kim, Hyun-Seok Cho, Chang-Hee Kim, Zhenxing Feng, Byung-Hyun Kim*, and Seung Woo Lee*
Applied Catalysis B: Environmental 302, 120834 (2022)

Understanding Synergistic Metal-Oxide Interactions of in situ Exsolved Metal Nanoparticles on a Pyrochlore Oxide Support for Enhanced Water Splitting [link]
Myeongjin Kim*, Jinho Park, Hyun Ju, Jin Young Kim, Hyun-Seok Cho, Chang-Hee Kim, Byung-Hyun Kim*, and Seung Woo Lee*
Energy & Environmental Science 14, 3053 (2021) *Front Cover

Research Topics

연구내용