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