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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
2018-06Rashba-Dresselhaus Effect in Inorganic/Organic Lead Iodide Perovskite InterfacesMyung, Chang Woo; Javaid, Saqid; Kim, Kwang S., et alARTICLE638 Rashba-Dresselhaus Effect in Inorganic/Organic Lead Iodide Perovskite Interfaces
2018-05A New Perspective on the Role of A‐Site Cations in Perovskite Solar CellsMyung, Chang Woo; Yun, Jeonghun; Lee, Geunsik, et alARTICLE575 A New Perspective on the Role of A‐Site Cations in Perovskite Solar Cells
2018-03Organic cation steered interfacial electron transfer within organic-inorganic perovskite solar cellsJavaid, Saqib; Myung, Chang Woo; Yun, Jeonghun, et alARTICLE464 Organic cation steered interfacial electron transfer within organic-inorganic perovskite solar cells
2018-03Sulfur-vacancy-dependent geometric and electronic structure of bismuth adsorbed on MoS2Park, Youngsin; Li, Nannan; Lee, Geunsik, et alARTICLE534 Sulfur-vacancy-dependent geometric and electronic structure of bismuth adsorbed on MoS2
2018-03Temperature induced crossing in the optical bandgap of mono and bilayer MoS2 on SiO2Park, Youngsin; Chan, Christopher C. S.; Taylor, Robert A., et alARTICLE537 Temperature induced crossing in the optical bandgap of mono and bilayer MoS2 on SiO2
2018-02Substitutional Growth of Methylammonium Lead Iodide Perovskites in AlcoholsAcik, Muge; Alam, Todd M.; Guo, Fangmin, et alARTICLE477 Substitutional Growth of Methylammonium Lead Iodide Perovskites in Alcohols
2018-01Oxygen-induced defects at the lead halide perovskite/graphene oxide interfacesAcik, Muge; Park, In Kee; Koritala, Rachel E, et alARTICLE574 Oxygen-induced defects at the lead halide perovskite/graphene oxide interfaces
2017-09Ferromagnetism in Monatomic Chains: Spin-Dependent Bandwidth Narrowing/BroadeningDua, Piyush; Lee, Geunsik; Kim, Kwang S.ARTICLE593 Ferromagnetism in Monatomic Chains: Spin-Dependent Bandwidth Narrowing/Broadening
2017-08Anomalous Ambipolar Transport of Organic Semiconducting Crystals via Control of Molecular Packing StructuresPark, Beomjin; Kim, Kyunghun; Park, Jaesung, et alARTICLE587 Anomalous Ambipolar Transport of Organic Semiconducting Crystals via Control of Molecular Packing Structures
2017-08Effects of impurity adsorption on topological surface states of Bi2Te3Shati, Khaqan; Farhan, M. Arshad; Chandrasekaran, S. Selva, et alARTICLE424 Effects of impurity adsorption on topological surface states of Bi2Te3
2017-07Adsorption of Carbon Tetrahalides on Coronene and GrapheneHa, Miran; Kim, Dong Yeon; Li, Nannan, et alARTICLE770 Adsorption of Carbon Tetrahalides on Coronene and Graphene
2017-06Electronic transport across metal-graphene edge contactGong, Cheng; Zhang, Chenxi; Oh, Young Jun, et alARTICLE575 Electronic transport across metal-graphene edge contact
2017-03Two-Dimensional Excitonic Photoluminescence in Graphene on a Cu SurfacePark, Youngsin; Kim, Yooseok; Myung, Chang Woo, et alARTICLE640 Two-Dimensional Excitonic Photoluminescence in Graphene on a Cu Surface
2017-02Density Functional Theory (DFT) Calculations for Oxygen Reduction Reaction Mechanisms on Metal-, Nitrogen- co-doped Graphene (M-N2-G (M = Ti, Cu, Mo, Nb and Ru)) ElectrocatalystsBhatt, Mahesh Datt; Lee, Geunsik; Lee, Jae SungARTICLE784 Density Functional Theory (DFT) Calculations for Oxygen Reduction Reaction Mechanisms on Metal-, Nitrogen- co-doped Graphene (M-N2-G (M = Ti, Cu, Mo, Nb and Ru)) Electrocatalysts
2017-02Screening of Oxygen-Reduction-Reaction-Efficient Electrocatalysts Based on Ag-M (M = 3d, 4d, and 5d Transition Metals) Nanoalloys: A Density Functional Theory StudyBhatt, Mahesh Datt; Lee, Geunsik; Lee, Jae SungARTICLE500 Screening of Oxygen-Reduction-Reaction-Efficient Electrocatalysts Based on Ag-M (M = 3d, 4d, and 5d Transition Metals) Nanoalloys: A Density Functional Theory Study
2017-01Efficient CO Oxidation by 50-Facet Cu2O Nanocrystals Coated with CuO NanoparticlesHarzandi, Ahmad M.; Tiwari, Jitendra N.; Lee, Ho Sik, et alARTICLE869 Efficient CO Oxidation by 50-Facet Cu2O Nanocrystals Coated with CuO Nanoparticles
2016-12Lower Electric Field-Driven Magnetic Phase Transition and Perfect Spin Filtering in Graphene Nanoribbons by Edge FunctionalizationRezapour, M. Reza; Yun, Jeonghun; Lee, Geunsik, et alARTICLE520 Lower Electric Field-Driven Magnetic Phase Transition and Perfect Spin Filtering in Graphene Nanoribbons by Edge Functionalization
2016-11Orbital hybridization mechanism for the enhanced photoluminescence in edge-functionalized sp2 carbon clustersKang, Byungkyun; Choi, Yuri; Kim, Byeong-Su, et alARTICLE507 Orbital hybridization mechanism for the enhanced photoluminescence in edge-functionalized sp2 carbon clusters
2016-11Oxygen Reduction Reaction Mechanisms on Al-Doped X-Graphene (X = N, P, and S) Catalysts in Acidic Medium: A Comparative DFT StudyBhatt, Mahesh Datt; Lee, Geunsik; Lee, Jae SungARTICLE636 Oxygen Reduction Reaction Mechanisms on Al-Doped X-Graphene (X = N, P, and S) Catalysts in Acidic Medium: A Comparative DFT Study
2016-10Integrative Approach toward Uncovering the Origin of Photoluminescence in Dual Heteroatom-Doped Carbon NanodotsChoi, Yuri; Kang, Byungkyun; Lee, Jooyong, et alARTICLE702 Integrative Approach toward Uncovering the Origin of Photoluminescence in Dual Heteroatom-Doped Carbon Nanodots

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