Seunghyun Lee

Dongbin Shin

Min Choi

Mahmut Sait Okyay

Bumseop Kim

Ranjit Thapa

Dorj Odkhuu

Kester Wang

Maengsuk Kim

Yevhen Horbatenko

Masood Yousaf

Jeongwoo Kim

Adem Halil Kulahlioglu

Welcome to the homepage of Computational materials and electronic structure laboratory ! (updated 22.10.26.) 50, UNIST-gil, Eonyang-eup, Ulju-gun, Ulsan. Copyright 2015 UNIST . All rights reserved. Computational materials and electronic structure laboratory

Computational materials and electronic structure laboratory

Unraveling materials Berry curvature and Chern numbers from real-time evolution of Bloch states

Phonon-driven spin-Floquet magneto-valleytronics in MoS2

Real-Time Propagation via Time-Dependent Density Functional Theory Plus the Hubbard U Potential for Electron–Atom Coupled Dynamics Involving Charge Transfer

Stacking, correlations and electronic dispersion in the photoexcited state of 1T-TaS2

Hydrophenazine-linked two-dimensional ladder-type crystalline fused aromatic network with high charge transport

Unusual Spin Polarization in the Chirality-Induced Spin Selectivity

Tracing out the Berry curvature dipole and multipoles in second harmonic Hall responses of time-reversal symmetric insulators

Giant bulk photovoltaic effect driven by the wall-to-wall charge shift in WS2 nanotubes

Excited electron dynamics in the interface of 2H-1T hetero-phases of monolayer MoS2: time-dependent density functional theory study

Identification of the Mott Insulating Charge Density Wave State in 1T−TaS2

Dynamical amplification of electric polarization through nonlinear phononics in 2D SnTe

First‑principles identification of the charge‑shifting mechanism and ferroelectricity in hybrid halide perovskites

Resonant amplification of the inverse Faraday effect magnetization dynamics of time reversal symmetric insulators

Covalent 0D–2D Heterostructuring of Co9S8–MoS2 for Enhanced Hydrogen Evolution in All pH Electrolytes

Facile Ferroelectric Phase Transition Driven by Si Doping in HfO2

One-dimensional hexagonal boron nitride conducting channel

Ruthenium anchored on carbon nanotube electrocatalyst for hydrogen production with enhanced Faradaic efficiency

Releasing the hidden shift current in the TTF-CA organic molecular solid via symmetry lowering

Expolitable Magnetic Anisotropy of the Two-Dimensional Magnet CrI3

In situ electrochemically synthesized Pt-MoO3-x nanostructure catalysts for efficient hydrogen evolution reaction

Scratch to sensitize: scratch-induced sensitivity enhancement in semiconductor thin-film sensors

Atomic-Level Customization of 4 in. Transition Metal Dichalcogenide Multilayer Alloys for Industrial Applications

Screening of suitable cationic dopants for solar absorber material CZTS/Se: A first principles study

Prediction of ferroelectricity-driven Berry curvature enabling charge- and spin-controllable photocurrent in tin telluride monolayers

Spin-Split Band Hybridization in Graphene Proximitized with α-RuCl3 Nanosheets

Paramagnetic Carbon Nanosheets with Random Hole-defects and Oxygenated Functional Groups

Tunability of magnetic anisotropy of Co on two-dimensional materials by tetrahedral bonding

Excitation-driven non-thermal conversion of few-layer graphenes into sp3-bonded carbon nanofilms

Exploring Critical Factors Affecting Strain Distribution in 1D Silicon-Based Nanostructures for Lithium-Ion Battery Anodes

Exploring the correlation between MoS2 Nanosheets and 3D Graphene-based Nanostructure for Reversible Lithium Storage

Coordination Polymers for High-Capacity Li-Ion Batteries: Metal-dependent Solid-State Reversibility

Anomalous K-point Phonons Activated by Local Surface Plasmon in Noble Metal/Graphene interface

Bifunctional sulfur-doped cobalt phosphide electrocatalyst outperforms all-noble-metal electrocatalysts in alkaline electrolyzer for overall water splitting

Zero Hall conductivity and its electronic origin in a Cr-doped topological insulator

Carbon-Heteroatom Bond Formation by Ultrasonic Chemical Reaction for Energy Storage System

Forming a three-dimensional porous organic network via solid-state explosion of organic single crystals

In Situ Electrochemical Activation of Atomic Layer Deposition Coated MoS2 Basal Planes for Efficient Hydrogen Evolution Reaction

Macroporous Inverse Opal-like MoxC with Incorporated Mo Vacancies for Significantly Enhanced Hydrogen Evolution

Critical Role of Cations in Lithium Sites on Extended Electrochemical Reversibility of Co-Rich Layered Oxide

An efficient and pH-universal ruthenium-based catalyst for the hydrogen evolution reaction

Role of Graphene in Water-Assisted Oxidation of Copper in Relation to Dry Transfer of Graphene

Probing Evolution of Twist-Angle-Dependent Interlayer Excitons in MoSe2/WSe2 van der Waals Heterostructures

Metalated graphene nanoplatelets and their uses as anode materials for lithium-ion batteries

Dissimilar anisotropy of electron versus hole bulk transport in anatase TiO2: Implications for photocatalysis

Si doped T6 carbon structure as an anode material for Li-ion batteries: An ab initio study

Formation of intercalation path for oxygen through imperfections in graphene on metal substrate: a density functional theory study

Synergetic interplay between pressure and surface chemistry for the conversion of sp2-bonded carbon layers into sp3-bonded carbon films

Wafer-scale and wrinkle-free epitaxial growth of single-orientated multilayer hexagonal boron nitride on sapphire

Two-dimensional polyaniline (C3N) from carbonized organic single crystals in solid state

La displacement driven double-exchange like mediation in titanium dxy ferromagnetism at the LaAlO3/SrTiO3

Unusually stable triazine-based superstructure

Simultaneously controllable doping sites and the activity of a W−N Codoped TiO2 photocatalyst

Rectifying the optical-field-induced current in dielectrics: petahertz diode

Real-time propagation via time-dependent density-functional plus Hubbard U potential for electron-atom coupled dynamics involving charge transfer

Single crystalline film of hexagonal boron nitride atomic monolayer by controlling nucleation seeds and domains

Selective tuning of a particular chemical reaction on surfaces through electrical resonance: an ab initio molecular dynamics study

Activation of CO and CO2 on homonuclear boron bonds of fullerene-like BN cages: first principles study

Single Crystalline Film of Hexagonal Boron Nitride Atomic Monolayer by Controlling Nucleation Seeds and Domains

Seamless Lamination of a Concave-Convex Architecture with Single-Layer Graphene

Hollow Silicon Nanostructures via the Kirkendall Effect

Organic-Catholyte-Containing Flexible Rechargeable Lithium Batteries

Coordination Chemistry of Co(acac)2 with N-Doped Graphene: Implications for Oxygen Reduction Reaction Reactivity of Organometallic Co-O4-N Species

Carbon-Coated Core–Shell Fe–Cu Nanoparticles as Highly Active and Durable Electrocatalysts for a Zn–Air Battery

First-principles investigation of wet-chemical routes for the hydrogenation of graphene

Electron-transfer transparency of graphene: Fast reduction of metal ions on graphene-covered donor surfaces

Antimony-doped graphene nanoplatelets

An oxygen reduction catalytic process through superoxo adsorption states on n-type doped h-BN: A first-principles study

Magnetic, elastic and optical properties of zinc peroxide (ZnO2): First principles study

Nitrogenated holey two-dimensional crystals

Jahn-Teller driven perpendicular magnetocrystalline anisotropy in metastable ruthenium

Organic-based magnetic semiconductor thin film of Fe(TCNQ) x∼2 developed by physical vapor deposition and local spin density induced core-level shifts

Ab initio study of thin oxide-metal overlayers as an inverse catalytic system for dioxygen reduction and enhanced CO tolerance

Development of double-perovskite compounds as cathode materials for low-temperature solid oxide fuel cells

Atomically resolved orientational ordering of C60 molecules on epitaxial graphene on Cu(111)

Nitrogenated holey two-dimensional structures

Promotion of oxygen reduction by a bio-inspired tethered iron phthalocyanine carbon nanotube-based catalyst

Magnetic ordering at the edges of graphitic fragments: Magnetic tail interactions between the edge-localized states

Two-dimensional polyaniline (C 3 N) from carbonized organic single crystals in solid state

Facile, scalable synthesis of edge-halogenated graphene nanoplatelets as efficient metal-free eletrocatalysts for oxygen reduction reaction

Probing Evolution of Twist-Angle-Dependent Interlayer Excitons in MoSe 2 /WSe 2 van der Waals Heterostructures

Synthesis and characterization of patronite form of vanadium sulfide on graphitic layer

Metal ion induced FRET OFF− ON in Tren/Dansyl-appended rhodamine

Magnetism in all-carbon nanostructures with negative Gaussian curvature

Direct nitrogen fixation at the edges of graphene nanoplatelets as efficient electrocatalysts for energy conversion

Development of double‐perovskite compounds as cathode materials for low‐temperature solid oxide fuel cells

Multilayer graphynes for lithium ion battery anode

Oxygen-induced p-type doping of a long individual single-walled carbon nanotube

Computational study of hydrogen storage characteristics of covalent-bonded graphenes

Carbon-coated core–shell Fe–Cu nanoparticles as highly active and durable electrocatalysts for a Zn–air battery

Metal-free Ketjenblack incorporated nitrogen-doped carbon sheets derived from gelatin as oxygen reduction catalysts

Computational Material and Electronic Structure Lab.

교수님 소개

박노정

연구실 소개

연구실 키워드

알럼나이가 간 회사

연구실 지원 방법

대우 조건

연도별 논문 인용수

저널 & 학회 논문 출판 수

연구실 논문 목록

Stacking, correlations and electronic dispersion in the photoexcited state of 1T-TaS2

Hydrophenazine-linked two-dimensional ladder-type crystalline fused aromatic network with high charge transport

Unusual Spin Polarization in the Chirality-Induced Spin Selectivity

연구실 보유 특허

대학별 입시끈

우리 연구실 모집

교수님 소개

박노정

연구실 키워드

알럼나이가 간 회사

연구실 지원 방법

대우 조건

연도별 논문 인용수

저널 & 학회 논문 출판 수

연구실 논문 목록

Stacking, correlations and electronic dispersion in the photoexcited state of 1T-TaS2

Hydrophenazine-linked two-dimensional ladder-type crystalline fused aromatic network with high charge transport

Unusual Spin Polarization in the Chirality-Induced Spin Selectivity

연구실 보유 특허

최근 3년간 연구실적 높은 연구실

대학별 입시끈

우리 연구실 모집