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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
2022-09Solar-to-hydrogen peroxide conversion of photocatalytic carbon dots with anthraquinone: Unveiling the dual role of surface functionalitiesGu, Minsu; Lee, Do-Yeon; Mun, Jinhong, et alARTICLE219 Solar-to-hydrogen peroxide conversion of photocatalytic carbon dots with anthraquinone: Unveiling the dual role of surface functionalities
2022-07A single-atom vanadium-doped 2D semiconductor platform for attomolar-level molecular sensingSeo, Jihyung; Kim, Yongchul; Lee, Junghyun, et alARTICLE110 A single-atom vanadium-doped 2D semiconductor platform for attomolar-level molecular sensing
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 alARTICLE26 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, GeunsikARTICLE104 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 alARTICLE125 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 alARTICLE362 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 alARTICLE164 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 alARTICLE114 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 alARTICLE115 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 alARTICLE69 Controlling interlayer magnetic coupling in the two-dimensional magnet Fe3GeTe2
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 alARTICLE116 Late Transition Metal Doped MXenes Showing Superb Bifunctional Electrocatalytic Activities for Water Splitting via Distinctive Mechanistic Pathways
2021-09The impact of molecular orientation on carrier transfer characteristics at a phthalocyanine and halide perovskite interfaceJavaid, Saqib; Lee, GeunsikARTICLE209 The impact of molecular orientation on carrier transfer characteristics at a phthalocyanine and halide perovskite interface
2021-07Facile room-temperature self-assembly of extended cation-free guanine-quartet network on Mo-doped Au(111) surfaceGhassami, Amirreza; Oleiki, Elham; Kim, Dong Yeon, et alARTICLE210 Facile room-temperature self-assembly of extended cation-free guanine-quartet network on Mo-doped Au(111) surface
2021-05Graphene Antiadhesion Layer for the Effective Peel-and-Pick Transfer of Metallic Electrodes toward Flexible ElectronicsJeong, Gyujeong; Seo, Jihyung; Kim, Yongchul, et alARTICLE164 Graphene Antiadhesion Layer for the Effective Peel-and-Pick Transfer of Metallic Electrodes toward Flexible Electronics
2021-04Tip-Induced Nano-Engineering of Strain, Bandgap, and Exciton Funneling in 2D SemiconductorsKoo, Yeonjeong; Kim, Yongchul; Choi, Soo Ho, et alARTICLE217 Tip-Induced Nano-Engineering of Strain, Bandgap, and Exciton Funneling in 2D Semiconductors
2021-04First principles and machine learning based superior catalytic activities and selectivities for N-2 reduction in MBenes, defective 2D materials and 2D pi-conjugated polymer-supported single atom catalystsZafari, Mohammad; Nissimagoudar, Arun S.; Umer, Muhammad, et alARTICLE184 First principles and machine learning based superior catalytic activities and selectivities for N-2 reduction in MBenes, defective 2D materials and 2D pi-conjugated polymer-supported single atom catalysts
2021-03Triboelectric Charge-Driven Enhancement of the Output Voltage of BiSbTe-Based Thermoelectric GeneratorsKim, Sun-Woo; Yang, U. Jeong; Lee, Jae Won, et alARTICLE198 Triboelectric Charge-Driven Enhancement of the Output Voltage of BiSbTe-Based Thermoelectric Generators
2021-01Unprecedented electrocatalytic oxygen evolution performances by cobalt-incorporated molybdenum carbide microflowers with controlled charge re-distributionShah, Md Selim Arif Sher; Paidi, Vinod K.; Jung, Hyeonjung, et alARTICLE110 Unprecedented electrocatalytic oxygen evolution performances by cobalt-incorporated molybdenum carbide microflowers with controlled charge re-distribution
2020-12A high performance N-doped graphene nanoribbon based spintronic device applicable with a wide range of adatomsRezapour, M. Reza; Lee, Geunsik; Kim, Kwang S.ARTICLE199 A high performance N-doped graphene nanoribbon based spintronic device applicable with a wide range of adatoms
2020-09Immobilizing single atom catalytic sites onto highly reduced carbon hosts: Fe-N-4/CNT as a durable oxygen reduction catalyst for Na-air batteriesNoh, Woo Yeong; Kim, Eun Mi; Kim, Kwang Young, et alARTICLE246 Immobilizing single atom catalytic sites onto highly reduced carbon hosts: Fe-N-4/CNT as a durable oxygen reduction catalyst for Na-air batteries

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