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Lee, Geunsik (이근식)

Department
Department of Chemistry(화학과)
Website
https://sites.google.com/view/gslee2017/home
Lab
Computational Research on Electronic Structure and Transport in Condensed Materials (응집물질 전자구조 및 전자전도 연구실)
Research Keywords
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
Research Interests
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.
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Issue DateTitleAuthor(s)TypeViewAltmetrics
2022-11Doped MXene combinations as highly efficient bifunctional and multifunctional catalysts for water splitting and metal-air batteriesAnand, Rohit; Ram, Babu; Umer, Muhammad, et alARTICLE138 Doped MXene combinations as highly efficient bifunctional and multifunctional catalysts for water splitting and metal-air batteries
2022-10Catalytic Centers with Multiple Oxidation States: A Strategy for Breaking the Overpotential Ceiling from the Linear Scaling Relation in Oxygen EvolutionKim, Ungsoo; Mun, Jinhong; Koo, Donghwan, et alARTICLE281 Catalytic Centers with Multiple Oxidation States: A Strategy for Breaking the Overpotential Ceiling from the Linear Scaling Relation in Oxygen Evolution
2022-10Impact of fluorination on the energy level alignment of an FnZnPc/MAPbI(3) interfaceOleiki, Elham; Javaid, Saqib; Lee, GeunsikARTICLE234 Impact of fluorination on the energy level alignment of an FnZnPc/MAPbI(3) interface
2022-10Nanozyme Based on Porphyrinic Metal-Organic Framework for Electrocatalytic CO2 ReductionLee, Junghye; Choi, Hansaem; Mun, Jinhong, et alARTICLE222 Nanozyme Based on Porphyrinic Metal-Organic Framework for Electrocatalytic CO2 Reduction
2022-09Solar-to-hydrogen peroxide conversion of photocatalytic carbon dots with anthraquinone: Unveiling the dual role of surface functionalitiesGu, Minsu; Lee, Do-Yeon; Mun, Jinhong, et alARTICLE648 Solar-to-hydrogen peroxide conversion of photocatalytic carbon dots with anthraquinone: Unveiling the dual role of surface functionalities
2022-09A Multifunctional Self-Assembled Monolayer for Highly Luminescent Pure-Blue Quasi-2D Perovskite Light-Emitting DiodesShin, Yun Seop; Ameen, Shahid; Oleiki, Elham, et alARTICLE285 A Multifunctional Self-Assembled Monolayer for Highly Luminescent Pure-Blue Quasi-2D Perovskite Light-Emitting Diodes
2022-07A single-atom vanadium-doped 2D semiconductor platform for attomolar-level molecular sensingSeo, Jihyung; Kim, Yongchul; Lee, Junghyun, et alARTICLE382 A single-atom vanadium-doped 2D semiconductor platform for attomolar-level molecular sensing
2022-07Role Of Orbital Bond and Local Magnetism In Fe3</sub>GeTe2</sub> and Fe4</sub>GeTe2</sub>: Implication For Ultrathin Nano DevicesKim, Seong-Rae; Park, In Kee; Yoo, Jong-Gyu, et alARTICLE200 Role Of Orbital Bond and Local Magnetism In Fe<sub>3</sub>GeTe<sub>2</sub> and Fe<sub>4</sub>GeTe<sub>2</sub>: Implication For Ultrathin Nano Devices
2022-07Conformational heterogeneity of molecules physisorbed on a gold surface at room temperatureKang, Mingu; Kim, Hyun Woo; Oleiki, Elham, et alARTICLE414 Conformational heterogeneity of molecules physisorbed on a gold surface at room temperature
2022-07Controllable electrodeposition of ordered carbon nanowalls on Cu(111) substratesWang, Mengran; Kim, Yongchul; Zhang, Liyuan, et alARTICLE195 Controllable electrodeposition of ordered carbon nanowalls on Cu(111) substrates
2022-06Molecularly Engineered Carbon Platform To Anchor Edge-Hosted Single-Atomic M-N/C (M = Fe, Co, Ni, Cu) Electrocatalysts of Outstanding DurabilityNoh, Woo Yeong; Mun, Jinhong; Lee, Yeongdae, et alARTICLE241 Molecularly Engineered Carbon Platform To Anchor Edge-Hosted Single-Atomic M-N/C (M = Fe, Co, Ni, Cu) Electrocatalysts of Outstanding Durability
2022-05Fe- and Co-based magnetic tunnel junctions with AlN and ZnO spacersShukla, Gokaran; Sanvito, Stefano; Lee, GeunsikARTICLE180 Fe- and Co-based magnetic tunnel junctions with AlN and ZnO spacers
2022-05Unveiling the Role of Charge Transfer in Enhanced Electrochemical Nitrogen Fixation at Single-Atom Catalysts on BX Sheets (X = As, P, Sb)Zafari, Mohammad; Umer, Muhammad; Nissimagoudar, Arun S., et alARTICLE214 Unveiling the Role of Charge Transfer in Enhanced Electrochemical Nitrogen Fixation at Single-Atom Catalysts on BX Sheets (X = As, P, Sb)
2022-03Carbothermal shock-induced bifunctional Pt-Co alloy electrocatalysts for high-performance seawater batteriesRyu, Jong Hun; Park, Jaehyun; Park, Jeongwoo, et alARTICLE493 Carbothermal shock-induced bifunctional Pt-Co alloy electrocatalysts for high-performance seawater batteries
2022-03Machine learning assisted high-throughput screening of transition metal single atom based superb hydrogen evolution electrocatalystsUmer, Muhammad; Umer, Sohaib; Zafari, Mohammad, et alARTICLE254 Machine learning assisted high-throughput screening of transition metal single atom based superb hydrogen evolution electrocatalysts
2022-03Dissolving Diamond: Kinetics of the Dissolution of (100) and (110) Single Crystals in Nickel and Cobalt FilmsLi, Yunqing; Kim, Yongchul; Bakharev, Pavel V., et alARTICLE197 Dissolving Diamond: Kinetics of the Dissolution of (100) and (110) Single Crystals in Nickel and Cobalt Films
2022-01Geomimetic Hydrothermal Synthesis of Polyimide-Based Covalent Organic FrameworksKim, Taehyung; Joo, Se Hun; Gong, Jintaek, et alARTICLE197 Geomimetic Hydrothermal Synthesis of Polyimide-Based Covalent Organic Frameworks
2022-01Controlling interlayer magnetic coupling in the two-dimensional magnet Fe3GeTe2Park, In Kee; Gong, Cheng; Kim, Kyoo, et alARTICLE126 Controlling interlayer magnetic coupling in the two-dimensional magnet Fe3GeTe2
2022-01Surficial amide-enabled integrated organic anode–binder electrode for electrochemical reversibility and fast redox kinetics in lithium–ion batteriesKim, Taehyung; Choi, Sungho; Ryu, Jaegeon, et alARTICLE108 Surficial amide-enabled integrated organic anode–binder electrode for electrochemical reversibility and fast redox kinetics in lithium–ion batteries
2021-12Late Transition Metal Doped MXenes Showing Superb Bifunctional Electrocatalytic Activities for Water Splitting via Distinctive Mechanistic PathwaysAnand, Rohit; Nissimagoudar, Arun S.; Umer, Muhammad, et alARTICLE208 Late Transition Metal Doped MXenes Showing Superb Bifunctional Electrocatalytic Activities for Water Splitting via Distinctive Mechanistic Pathways

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