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이근식
Lee, Geunsik

이근식

화학과

  • Computational Research on Electronic Structure and Transport in Condensed Materials
  • Website
Research Interests
open quantum system;electron correlation;dynamical mean field theory;2D materials;non-equilibrium electron transport;magnetic ordering;strongly correlated system;water splitting;perovskite solar cell
Lab Description
Physical and chemical properties of materials are governed by electromagnetic interaction between charged species. Particles heavier than few-nucleon can be easily described by classical equations of motion. However, electrons require a special treatment because of their uncertainty in exhibiting quantitative properties. The most prevailing theory in last one century has been the quantum mechanics where distribution of electrons is probabilistically given by a squared wave function. Once we know the distribution of electrons or the initial wave function, all the microscopic behavior later on, in principle, can be predicted by using the Schrodinger equation of motion and quantum statistical mechanics. But, practically, it is still challenging to describe system of many particles interacting among themselves, namely the complex system, where only qualitative behavior has been known with simplified models. For reliable and quantitative description of physical and chemical properties of materials, we need high-performance computation power together with numerical approaches solving quantum mechanics. By using various state-of-the-art numerical methods, our group is mainly oriented to studying novel phenomena of nanoscale systems, related to next-generation electronic/spintronic/optical devices and high-efficient energy/environment catalysts. In addition, we develop a numerical code to describe strongly correlated systems in non-equilibrium steady-state situation.
Researcher ID Research Gate ORCiD Scopus Google Scholar
Previous
Interlayer coupling induced ferroelectricity in bilayer α-As File

Park, In Kee , Lee, Geunsik

Article Issue Date2026-03 View9
BO-graphane and BO-diamane File

Ram, Babu , Anand, Rohit , Nissimagoudar, Arun S. , Lee, Geunsik , Ruoff, Rodney S.

Article Issue Date2026-02 View13
Amino acid-based complexing agents for improved Zn anode performance in near-neutral aqueous Zn-air batteries File File

Im, Eunmi , Erkes, Rebecca , Heidler, Marie , Mun, Jinhong , Guerrero, Saul Said Montiel , Ha, Jee Ho , Dzieciol, Krzysztof , Yu, Shicheng , Kungl, Hans , Tempel, Hermann , et al

Article Issue Date2026-01 View47
Amino acid-based complexing agents for improved Zn anode performance in near-neutral aqueous Zn-air batteries File File

Im, Eunmi , Erkes, Rebecca , Heidler, Marie , Mun, Jinhong , Guerrero, Saul Said Montiel , Ha, Jee Ho , Dzieciol, Krzysztof , Yu, Shicheng , Kungl, Hans , Tempel, Hermann , et al

Article Issue Date2026-01 View54
Boron and Nitrogen Bridged Mn Single-Atom Catalyst for Highly Efficient Nitrogen Electroreduction to Ammonia File

Choi, Hansaem , Sultan, Siraj , Zafari, Mohammed , Yoon, Aram , Lee, Hojeong , Ha, Miran , Jeong, Beomgyun , Ju, Hyungkuk , Yoon, Hyung Chul , Kim, Kwang S. , et al

Article Issue Date2025-11 View33
Selective CVD growth of boron nitride nanotubes via oxidation control of supported catalysts File

Kim, Chunghun , Kang, Yosub , Lee, Dong Hwan , Yang, Seung Jae , Jeong, Eunjae , Lee, Geunsik , Kim, Myung Jong

Article Issue Date2025-11 View13
Rational synthesis of dual-atom catalysts for optimized thermochemical CO2 reduction File File

Kim, Kyung-Min , Mun, Jinhong , Yun, Gwang-Nam , You, Young-Woo , Park, Ji Hoon , Lee, Jin Hee , So, Jungseob , Shin, Hyeonoh , Kwon, Junhyeok , Kim, Sungtae , et al

Article Issue Date2025-11 View38
Molecular Functionality Switching of Isomorphic Organoantimony Complexes between High-Sensitivity Radical Initiator and Quencher for Reliable Extreme Ultraviolet Lithography File

Kang, Yeo Kyung , You, Dong Kyun , Lee, Sun Jin , Gupta, Vishal , Kim, Dowon , Hwang, Jinho , Jee, Hae-geun , Hong, Sukwon , Lee, Geunsik , Lee, Kang Mun , et al

Article Issue Date2025-10 View49
Reaction Mechanism for Hydrogen Production via Methane Pyrolysis on a Dynamic Liquid Ga-Fe-Ni Catalyst File

Zafari, Mohammad , Ram, Babu , Anand, Rohit , Kim, Yongchul , Lee, Geunsik

Article Issue Date2025-09 View35
Simultaneous bright singlet and triplet emissions in CsPbBr3 nanocrystals for next-generation light sources File

Park, Youngsin , Jana, Atanu , Cho, Sangeun , Taylor, Robert A. , Lee, Geunsik

Article Issue Date2025-09 View56
Electrochemical Functionalization of Graphene-on-Cu(111): Reactivity, Onset Potentials, and Mechanistic Insights File File

Kim, Minhyeok , Kim, Yongchul , Lee, Geunsik , Ruoff, Rodney S. , Lee, Sun-hwa

Article Issue Date2025-07 View24
Mn-Al permanent magnets and their native defects: A first principle investigation File

Javaid, Saqib , Mishra, Suman , Park, In Kee , Lee, Geunsik

Article Issue Date2025-06 View148
Diatom derived hollow 3D Frame as a synergetic support for millerite nanoparticles: A unique hydrogen evolution electrocatalyst and its mechanistic insights File

Panda, Atanu , Son, Younghu , Umer, Muhammad , Lee, Geunsik , Balamurugan, Mani , Lee, Jihyun , Kim, Wooyul , Umapathi, Reddicherla , Lohith, E. A. , Keerthi, K. , et al

Article Issue Date2025-04 View170
First-principles study of metal and ligand substitution effects on EUV absorption and electron energy loss File

Brette, Florian , Gupta, Vishal , Lee, Geunsik

Article Issue Date2025-04 View144
Synchrotron x-ray diffraction study of inversion symmetry breaking in bulk black phosphorus File

Kim, Yongsam , Park, In Kee , Yang, D. ChangMo , Kim, Duck Young , Lee, Geunsik , Kim, Namdong

Article Issue Date2025-04 View80
Activation of Hidden Catalytic Sites in 2D Basal Plane via p-n Heterojunction Interface Engineering Toward Efficient Oxygen Evolution Reaction File

Kim, Eugene , Kim, Sungsoon , Kim, Yongchul , Hamkins, Kiran , Baek, Jihyun , Kim, Minjoong , Liu, Tae-Kyung , Choi, Young Moon , Lee, Jung Hwan , Jang, Gyu Yong , et al

Article Issue Date2025-03 View190
Unlocking the catalytic potential of iMXenes: selective electrochemical CO2 reduction for methane production File

Anand, Rohit , Zafari, Mohammad , Gupta, Vishal , Lee, Geunsik , Kim, Kwang S.

Article Issue Date2025-02 View110
Surface plasmon-mediated photoluminescence boost in graphene-covered CsPbBr3 quantum dots File

Park, Youngsin , Oleiki, Elham , Ying, Guanhua , Jana, Atanu , Alanazi, Mutibah , Osokin, Vitaly , Cho, Sangeun , Taylor, Robert A. , Lee, Geunsik

Article Issue Date2025-02 View128
High-performance and stable NH3 production using a TiO2-protected Si photocathode and patterned Au loading File File

Tayyebi, Ahmad , Juyeon, Jeong , Moghaddam, Mahsa Haddadi , Zafari, Mohammad , Go, Hyun-Ju , Lee, Dukhyung , Tayebi, Meysam , Yang, Hwa-Young , Shin, Changhwan , del Carmen Gimenez-Lopez, Maria , et al

Article Issue Date2025-01 View38
Growth Kinetics of Graphene on Cu(111) Foils from Methane, Ethyne, Ethylene, and Ethane File

Wang, Meihui , Kim, Yong Chul , Meng, Yongqiang , Chatterjee, Shahana , Bakharev, Pavel , Luo, Da , Gong, Yan , Abadie, Thomas , Kim, Min Hyeok , Sitek, Jakub , et al

Article Issue Date2024-12 View174
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