연구활동 Research activities

논문
  • [국외]
  • First-principles study of electronic and optical properties of two-dimensional Ca2N electride using pseudoatomic orbital basis set, Physical Review B 108 (2023)
  • Effects of a single vacancy on electronic properties of a Ca2N electride bilayer, APPLIED SURFACE SCIENCE 612 (2023)
  • Classification of the metropolitan subway stations and spheres of influence of main commercial areas in Seoul, PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS 609 (2023)
  • Molecular dynamics analysis of water flow through a multiply connected carbon nanotube channel, CURRENT APPLIED PHYSICS 45 (2023)
  • Strong electron-phonon coupling driven charge density wave states in stoichiometric 1T-VS2 crystals, JOURNAL OF MATERIALS CHEMISTRY C 10 (2022)
  • The point mutation of the cholesterol trafficking membrane protein NPC1 may affect its proper function in more than a single step: Molecular dynamics simulation study, COMPUTATIONAL BIOLOGY AND CHEMISTRY 99 (2022)
  • Various defects in graphene: a review, RSC ADVANCES 12 (2022)
  • Property changes in two-dimensional electride bilayers through compression, sliding, and twisting, APPLIED SURFACE SCIENCE 586 (2022)
  • Emergent Topological Hall Effect from Exchange Coupling in Ferromagnetic Cr2Te3/ Noncoplanar Antiferromagnetic Cr2Se3 Bilayers, ACS NANO 16 (2022)
  • Electronic and magnetic properties of homonuclear and heteronuclear transition metal pairs in graphene, Applied Surface Science 569 (2021)
  • First-principles study of two-dimensional electron gas on a layered Gd2C electride surface, Physical Review B 104 (2021)
  • Nanoporous Silver Telluride for Active Hydrogen Evolution, ACS NANO 15 (2021)
  • First-principles study of oxygen-terminated periodically porous graphene, Computational Materials Science 187 (2021)
  • Morphing Mn-core@Pt-shell nanoparticles: Effects of core structure on the ORR performance of Pt shell, APPLIED CATALYSIS B-ENVIRONMENTAL 267 (2020)
  • Equilibrium structures of water molecules confined within a multiply connected carbon nanotube: a molecular dynamics study, Physical Chemistry Chemical Physics 22 (2020)
  • Adsorption properties of dopamine derivatives using carbon nanotubes: A first-principles study, Applied Surface Science 501 (2020)
  • Fabrication of robust hydrogen evolution reaction electrocatalyst using Ag2Se by vacuum evaporation, Nanomaterials 9 (2019)
  • Behavior of H2O molecule in carbon nanotube/boron nitride nanotube heterostructure, CURRENT APPLIED PHYSICS 19 (2019)
  • First-principles modeling of water permeation through periodically porous graphene derivatives, JOURNAL OF COLLOID AND INTERFACE SCIENCE 538 (2019)
  • Effects of intercalated atoms on electronic structure of graphene nanoribbon/hexagonal boron nitride stacked layer, SCIENTIFIC REPORTS 9 (2019)
  • Lithium Intercalation in Graphene-MoS2 Heterostructures, JOURNAL OF PHYSICAL CHEMISTRY C 122 (2018)
  • Dynamics of liquid crystal on hexagonal lattice, 2D MATERIALS 5 (2018)
  • Energetics and kinetics of vacancy defects in 4H-SiC, PHYSICAL REVIEW B 98 (2018)
  • Electric field effect on the electronic structure of 2D Y2C electride, 2D MATERIALS 5 (2018)
  • Magnetic moment changed by interlayer charge transfer in vertical graphene/C-doped hexagonal boron nitride heterostructure, CHEMICAL PHYSICS LETTERS 692 (2018)
  • Electronic properties of a graphene/periodic porous graphene heterostructure, CARBON 122 (2017)
  • Edge-functionalization of armchair graphene nanoribbons with pentagonal-hexagonal edge structures, JOURNAL OF PHYSICS-CONDENSED MATTER 29 (2017)
  • Electronic structure and switching behavior of the metastable silicene domain boundary, APPLIED PHYSICS LETTERS 110 (2017)
  • Ab initio study of aspirin adsorption on single-walled carbon and carbon nitride nanotubes, PHYSICAL CHEMISTRY CHEMICAL PHYSICS 19 (2017)
  • Study of Grains and Boundaries of Molybdenum Diselenide and Tungsten Diselenide Using Liquid Crystal, NANO LETTERS 17 (2017)
  • Observation of graphene grain boundaries through selective adsorption of rhodamine B using fluorescence microscopy, Carbon 108 (2016)
  • Zero-line modes at stacking faulted domain walls in multilayer graphene, PHYSICAL REVIEW B 94 (2016)
  • Energy Bandgap and Edge States in an Epitaxially Grown Graphene/h-BN Heterostructure, SCIENTIFIC REPORTS 6 (2016)
  • Computational simulation of subatomic-resolution AFM and STM images for graphene/hexagonal boron nitride heterostructures with intercalated defects, Physical Review B 94 (2016)
  • DNA aptamer release from the DNA-SWNT hybrid by protein recognition, CHEMICAL COMMUNICATIONS 52 (2016)
  • Electronic Properties of Bilayer Graphene Strongly Coupled to Interlayer Stacking and an External Electric Field, PHYSICAL REVIEW LETTERS 115 (2015)
  • Is hexagonal boron nitride always good as a substrate for carbon nanotube-based devices?, Physical Chemistry Chemical Physics 17 (2015)
  • Ab initio study of adsorption properties of hazardous organic molecules on graphene: Phenol, phenyl azide, and phenylnitrene, Chemical Physics Letters 618 (2015)
  • Spatial variation in the electronic structures of carpetlike graphene nanoribbons and sheets, Current Applied Physics 14 (2014)
  • Interlayer coupling enhancement in graphene/hexagonal boron nitride heterostructures by intercalated defects or vacancies, JOURNAL OF CHEMICAL PHYSICS 140 (2014)
  • Tailoring the Electronic Band Gap of Graphyne, JOURNAL OF PHYSICAL CHEMISTRY C 118 (2014)
  • First-principles investigation on dimerization of metal-encapsulated gold nanoclusters, RSC ADVANCES 4 (2014)
  • Rational syntheses of core-shell Fe-x@Pt nanoparticles for the study of electrocatalytic oxygen reduction reaction, Scientific Reports 3 (2013)
  • Molecular adsorption study of nicotine and caffeine on single-walled carbon nanotubes from first principles, CHEMICAL PHYSICS LETTERS 580 (2013)
  • Electronic properties of carbon nanotubes partially unzipped by oxygenation or fluorination, SOLID STATE COMMUNICATIONS 167 (2013)
  • Decay behavior of localized states at reconstructed armchair graphene edges, PHYSICAL REVIEW B 88 (2013)
  • Entropy-Based Analysis and Bioinformatics-Inspired Integration of Global Economic Information Transfer, PLOS ONE 8 (2013)
  • Low-volume liquid delivery and nanolithography using a nanopipette combined with a quartz tuning fork-atomic force microscope, Nanoscale 4 (2012)
  • Binding properties of a nitrogen atom onto an anionic golden fullerene Au-16(-), CHEMICAL PHYSICS LETTERS 545 (2012)
  • Enhanced Formation of a Confined Nano-Water Meniscus Using a 780 nm Laser with a Quartz Tuning Fork-Atomic Force Microscope, Journal of Nanoscience and Nanotechnology 12-7 (2012)
  • Enhanced binding strength between metal nanoclusters and carbon nanotubes with an atomic nickel defect, NANOTECHNOLOGY 23-20 (2012)
  • First-principles study of substitutional carbon pair and Stone-Wales defect complexes in boron nitride nanotubes, CHEMICAL PHYSICS LETTERS 522 (2012)
  • Formation of unconventional standing waves at graphene edges by valley mixing and pseudospin rotation , PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 108-46 (2011)
  • Modification of the electronic structure in single-walled carbon nanotubes with aromatic amines, PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS 248-11 (2011)
  • Origins of dihydrogen binding to metal-inserted porphyrins: electric polarization and Kubas interaction, Journal of Chemical Physics 134-23 (2011)
  • Impact of the Topology of Global Macroeconomic Network on the Spreading of Economic Crises, PLoS ONE 6-3 (2011)
학술발표
  • Electronic properties of dicalcium nitride (Ca2N) nanoribbons from first principles, March Meeting of the American Physical Society(the American Physical Society), 2023-03
  • Study of topologigcal Hall effect in epitaxial structures of ferromagnetic material / non-coplanar antiferromagnetic material, 한국자기학회 동계학술대회(한국자기학회), 2022-11
  • Topological Hall effect due to magnetic interaction at Cr2Te3/Cr2Se3 interface, The 15th Asia Pacific Physics Conference (APPC15)(한국물리학회), 2022-08
  • Ab initio study of monovacancy in bilayer dicalcium nitride (Ca2N), The 15th Asia Pacific Physics Conference (APPC15)(한국물리학회), 2022-08
  • A first-principles analysis of hydrogen evolution reaction using an AgTe catalyst, 2022 MRS Spring Meeting & Exhibit(미국 재료과학회 ), 2022-05
  • First-principles analysis of electronic characteristics of bilayer dicalcium nitride (Ca2N) with point defect, 2022 MRS Spring Meeting & Exhibit(미국 재료과학회 ), 2022-05
  • High performance of hydrogen evolution reaction in AgTe, APS March Meeting(Bulletin of the American Physical Society), 2021-03
  • Effects of interlayer anionic electrons on electronic properties of gadolinium carbide (Gd2C) from first principles study, APS March Meeting(Bulletin of the American Physical Society), 2021-03
  • Hydrogen evolution reaction of AgTe, 2020년 한국물리학회 가을 학술논문발표회(한국물리학회 ), 2020-11
  • First-principles study of two-dimensional Gd2C electride, 2020년 한국물리학회 가을 학술 발표회 (한국물리학회 ), 2020-11
  • Equilibrium structures of water molecules confined within a multiply connected carbon nanotube: a molecular dynamics study, 대한화학회 물리학학분과회 하계 심포지엄(대한화학회 ), 2019-07
  • First-principles study of pressure effect on electronic properties of few layer Y2C electride, 제 15회 고등과학원 전자구조 계산학회 (고등과학원), 2019-07
  • Effects of point defects on electronic properties of dicalcium nitride (Ca2N) monolayer and bilayer from first principles, 제 15회 고등과학원 전자구조 계산학회 (고등과학원), 2019-07
  • Computational study of equilibrium structures of water molecules confined within a multiply connected carbon nanotube, 2019년 봄 학술논문발표회 및 제 95회 정기총회 (한국물리학회 ), 2019-04
  • First-principles investigation of a H2O molecule in a heterogeneous carbon/boron nitride (7,7) nanotube, 2018 MRS Fall Meeting and Exhibition(American Materials Research Society), 2018-11
  • Electron and phonon properties of periodically porous graphene from first principles, Nano Korea 2018(나노기술연구협의회 등), 2018-07
  • Ab initio study of dopamine adsorption on single-walled carbon nanotube, Nano Korea 2018(나노기술연구협의회 등), 2018-07
  • Behavior of a H2O molecule in a hybrid carbon/boron nitride heteronanotube , 2018년 봄 학술논문발표회(한국물리학회), 2018-04
  • Electronic properties of periodically oxygen-terminated porous graphene, 2018년 봄 학술논문발표회 (한국물리학회 ), 2018-04
  • Water permeation through periodically porous graphene, March Meeting(미국 물리학회), 2018-03
  • Electronic structure of van der Waals graphene/periodically porous graphene heterostructures, 23rd International Conference on Nanomaterials and Nanotechnology(Conference Series), 2018-03
  • Catalytic effect of Ag2Se for decomposition of water: a first-principlesstudy, 2017 가을 학술논문발표회 (한국물리학회 ), 2017-10
  • Atomic oxygen binding to a Pt/Mn surface: ab initio investigation, 2017 가을 학술논문발표회 (한국물리학회 ), 2017-10
  • First-principles study of adsorption properties of liquidcrystal molecule on two-dimensional transition metaldichalcogenides, 전자구조계산학회(고등과학원), 2017-06
  • Ab initio study of a water molecule inside a carbonnanotube/ boron nitride nanotube heterostructure, 전자구조 계산학회 (고등과학원), 2017-06
  • Biaxial strain effects on Diamane, Fluoro-diamane andHalf-fluoro-diamane: a first-principles study, 전자구조 계산학회(고등과학원), 2017-06
  • Zero-line modes at stacking faulted domain walls in multilayer graphene nanoribbon2016 , 2016 봄 학술논문 발표회 및 92회 정기 총회 (한국물리학회), 2016-04
  • Scanning Tunneling Microscopy/Spectroscopy of Graphene, March Meeting(미국 물리학회 ), 2016-03
  • Decay patterns of edge states at reconstructed armchair graphene edges, March Meeting(미국 물리학회 ), 2016-03
  • Measuring Large-Scale Dynamic Graph Similarity by RICom: RWR with Intergraph Compression, 15th IEEE International Conference on Data Mining(IEEE), 2015-11
  • First-principles study on interplay between structural and electronic properties of acetylsalicylic acid adsorbed on carbon and carbon nitride (C3N4) nanotubes, The 18th Asian Workshop on First-Principles Electronic Structure Calculations(Computational Materials Science Initiative ), 2015-11
  • Structural and electronic properties of acetylsalic acid on carbon and carbon nitride (C3N4) nanotubes: ab initio study, 2015 가을 학술논문발표 및 임시 총회 (한국 물리학회 ), 2015-10
  • Computational simulation of STM images for vertical heterostructures of graphene and hexagonal boron nitride by intercalated metal defects, 2015 한국 슈퍼컴퓨팅 컨퍼런스 (한국정보과학회), 2015-10
  • Electronic properties of vertical graphene/hexagonal boron nitride heterostructures with intercalated defects or vacancies, The 16th International Conference on the Science and Technology of Carbon Nanotubes(Mitsubishi Corporation 등), 2015-07
  • Decay Patterns of localized states at reconstructed armchair graphene edges, The 16th International Conference on the Science and Technology of Carbon Nanotubes(Mitsubishi Corporation 등), 2015-06
  • Ab initio study of hexagonal boron nitride as a substrate for carbon nanotube-based devices, The 16th International Conference on the Science and Technology of Carbon Nanotubes(Mitsubishi Corporation 등), 2015-06
  • Stacking-dependent gap-opening properties of various stacking configurations of bilayer graphene under external electric fields, 2015 MRS Spring Meeting(American Materials Research Society), 2015-04
  • Structural and Electronic Properties of Anionic Gold Nanocages XAu16- (X = N, O, or S), 2015 봄 학술 논문 발표회 (한국 물리학회 ), 2015-04
  • Ab initio Study of Acetylsalicylic Acid Adsorbed on Single-walled Carbon and Carbon Nitride Nanotubes, 2015 봄 학술 논문 발표회 (한국 물리학회), 2015-04
  • Electronic properties of bilayer graphenes strongly coupled to interlayer stacking and an external electric field, American Physical Society March Meeting(American Physical Society), 2015-03
  • First-Principles Electronic Structure Calculations of Bilayer Graphene Strongly Coupled by Interlayer Stacking and External Fields, The 17th Asian Workshop onFirst-Principles Electronic Structure Calculations(아시아 전자구조 계산학회), 2014-11
  • First-principles study of the heterostructures consisting of graphene and polyphenylene superhoneycomb network, The 17th Asian Workshop onFirst-Principles Electronic Structure Calculations(아시아 전자구조 계산학회), 2014-11
  • Ab initio study of the heterostructures composed of graphene and porous graphene, 가을 학술 논문 발표회(한국 물리학회), 2014-10
  • Complex stacking-dependent bandgap in symmetry-broken bilayer graphene, 가을 학술 논문 발표회(한국 물리학회), 2014-10
  • Anomalous Water Behaviors on Hexagonal Boron Nitride: Ab initio Study, 봄 학술 논문 발표회(한국 물리학회), 2014-04
  • Electric-field-dependent electronic structure of graphene bilayer: from the Bernal stacking to the unconventional orthorhombic stacking, 2014 APS March Meeting(미국 물리학회), 2014-03
  • Defect-mediated coupling between graphene monolayer and hexagonal boron nitride sheet, 2014 APS March Meeting(미국 물리학회), 2014-03
  • Evolution of electronic structures of bilayer-graphenes from the Bernal stacking to the unconventional orthorhombic stacking, 2013 MRS Fall Meeting(Materials Research Society), 2013-12
  • Decay patterns of localized states at reconstructed armchair graphene edges , 2013년 가을 학술논문 발표회(한국물리학회 ), 2013-11
  • First-Principles Study on Oxygen- and Fluorine-DrivenPartially Unzipped Carbon Nanotubes, 2013년 가을 학술논문발표회(한국물리학회), 2013-10
  • Ab initio study of graphitic carbon nanostructures on hexagonal boron nitride sheets, Collaborative conference on 3D & Materials Research(CC3DMR), 2013-06
  • Spatial Variation in the Local Electronic Structure of Carpet-like Graphene Structures, 2013년 봄 학술논문 발표회(한국물리학회), 2013-04
  • Computational Study on the Electronic Transport Properties of Gold Nanowires Based on M@Au12 (M=W, Mo) Clusters , 2013년 봄 학술논문 발표회(한국물리학회), 2013-04
  • Oxygen- and Fluorine-Driven Unzipping of Carbon Nanotubes: First-Principles Study , 2013년 봄 학술논문 발표회(한국물리학회), 2013-04
  • Atomic and Electronic Structure of Graphene/Hexagonal Boron Nitride Stacked Layer with Intercalated Atoms , 2013년 봄 학술논문 발표회(한국물리학회), 2013-04
  • First-principles study of hexagonal boron nitride sheets as substrate, 2012 MRS Fall Meeting(Materials Research Society), 2012-11
  • Doping and Electric Field Effects on Perfect and Vacancies Boron Nitride as Substrate of Carbon Nanotubes, 2012년 가을학술발표회 및 임시총회(한국물리학회)(한국물리학회), 2012-10
  • Ab initio Study of Atomic and Electronic Structure of Graphene Edges on a Hexagonal Boron Nitride Sheet, 2012년 봄 학술논문발표회 (한국물리학회)(한국물리학회), 2012-04
  • Liquid solution delivery through the pulled nanopippette combined with QTF-AFM system, APS March Meeting 2012, 2012-02
  • First-principles study on doping and electric field effects of carbon nanotubes on hexagonal boron nitride substrate, The 14th Asian Workshop on First-Principles Electronic Structure Calculations, 2011-11
  • An exceptionally novel material,graphene: a theoretical perspective, IEEE NMDC2011, 2011-10
  • Doping and Electric Field Effects on Boron Nitride as Substrate of Carbon Nanotubes, 한국 물리학회 가을 학술 논문 발표회, 2011-10
  • First-principles Study of Edge-functionalized Armchair Graphene Nanoribbons with Pentagonal Reconstruction, 한국 물리학회 가을 학술논문 발표회, 2011-10
  • First-principles Study Of Acetylsalicylic Acid Adsorbed On Single-walled Carbon And Boron Nitride Nanotubes, 한국 물리학회 봄 학술논문 발표회, 2011-04
  • Formation of unconventional standing waves at graphene edges with valley mixing and pseudospin rotation, 한국 물리학회 봄 학술논문 발표회, 2011-04
  • Ab initio Study of Undoped and Doped Carbon Nanotubes on Hexagonal Boron Nitride Substrates under Applied Electric Fields, 한국 물리학회 봄 학술논문 발표회, 2011-04
  • Adsorption properties of caffeine and nicotine on single-walled carbon nanotubes: ab initio study, 한국 물리학회 봄 학술논문 발표회, 2011-04
  • Ab initio scanning tunneling spectroscopy simulation of graphene with metal adatoms: weak and strong coupling regimes, APS march meeting 2011, 2011-03