교수소개

부교수

김형준
직책/직급
부교수
주전공
양자화학
담당과목
계산화학 / 양자화학 / 물리화학 / 일반화학
전화번호
032-835-8231
이메일
kim.hyungjun@inu.ac.kr
홈페이지
https://qclab.weebly.com
학력

2014.08.22 한국과학기술원  (박사)

2010.02.26 한국과학기술원  (석사)

2008.02.01 한국과학기술원  (학사)

경력

2015.03 ~ 2018.08 University of Michigan (재직중) (박사후과정 연구원)

2014.09 ~ 2015.02 한국과학기술원 (박사후과정 연구원)

연구실적
<논문> 

Molecular dynamics interpretation of hydrogen bonds for colorless, water-resistant, tough, and self-healable elastomers, Journal of Materials Chemistry A , 제11권(집) , 제42호 , 2023.10.31

All-natural water-resistant paper coated by chitosan nanowhiskers through hydrophilic-to-hydrophobic self-assembly, PROGRESS IN ORGANIC COATINGS , 제182권(집) , 2023.09.01

Leveraging Charge-Transfer Interactions in Through-Space Coupled Pentacene Dendritic Oligomer for Singlet Exciton Fission, Journal of the American Chemical Society , 제145권(집) , 제36호 , PP.19812~19823 , 2023.07.24

Dual−State Emission and Two−Photon Absorption Tuned byBenzonitrile Substitution in 2,3,4,5−Tetraphenyl−1H−Pyrrole, ChemPhotoChem , 제7권(집) , 제6호 , 2023.06.01

Depolymerization of poly(alpha-methyl styrene) with ball-mill grinding, JOURNAL OF POLYMER SCIENCE , 제61권(집) , 제7호 , PP.553~560 , 2023.04.01

Polydiacetylene-based hydrogel beads as colorimetric sensors for the detection of biogenic amines in spoiled meat, Food Chemistry , 제403권(집) , 2023.03.01

Water-assisted formation of amine-bridged carbon nitride: A structural insight into the photocatalytic performance for H2 evolution under visible light, APPLIED CATALYSIS B-ENVIRONMENTAL , 제310권(집) , 2022.08.05

Steering the multiexciton generation in slip-stacked perylene dye array via exciton coupling, Nature Communications , 제13권(집) , 제1호 , 2022.08.02

Machine Learning Applications for Chemical Reactions, Chemistry-An Asian Journal , 제17권(집) , 제14호 , 2022.07.15

Theoretical Protocol Based on Long-Range Corrected Density Functional Theory and Tuning of Range-Split Parameter for TwoElectron Two-Proton Reduction of Phenylazocarboxylates, JOURNAL OF PHYSICAL CHEMISTRY A , 제126권(집) , 제15호 , PP.2430~2436 , 2022.04.21

Real-time Observation of Structural Dynamics Triggering Excimer Formation in a Perylene Bisimide Folda-dimer by Ultrafast Time-domain Raman Spectroscopy, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION , 제61권(집) , 제13호 , 2022.03.21

Electrospun Nanofibrous Membrane-based colorimetric device for rapid and simple screening of amphetamine-type stimulants in drinks, ANALYTICAL CHEMISTRY , 제94권(집) , 제8호 , PP.3535~3542 , 2022.03.01

Colorimetric paper sensor for visual detection of date-rape drug γ-hydroxybutyric acid (GHB), SENSORS AND ACTUATORS B-CHEMICAL , 제347권(집) , 2021.11.15

PIM-PI-1 and Poly(ethylene glycol)/Poly(propylene glycol)-Based Mechanically Robust Copolyimide Membranes with High CO2 -Selectivity and an Anti-aging Property: A Joint Experimental- Computational Exploration, ACS Applied Materials & Interfaces , 제13권(집) , 제42호 , PP.49890~49906 , 2021.10.27

Trimethoxymethylsilane as a solid-electrolyte interphases improver for graphite anode, CURRENT APPLIED PHYSICS , 제26권(집) , PP.72~77 , 2021.06.01

The Role of the Core Attachment Positioning in Triggering Intramolecular Singlet Exciton Fission in Perylene Diimide Tetramers, JOURNAL OF PHYSICAL CHEMISTRY B , 제125권(집) , 제19호 , PP.5114~5131 , 2021.05.20

Spin-Flip Density Functional Theory for Redox Properties of Organic Photoredox Catalyst in Excited States, Journal of Chemical Theory and Computation , 제17권(집) , 제2호 , PP.767~776 , 2021.02.09

Theoretical Engineering of Singlet Fission Kinetics in Perylene Bisimide Dimer with Chromophore Rotation, JOURNAL OF PHYSICAL CHEMISTRY A , 제125권(집) , 제3호 , PP.875~884 , 2021.01.14

Multiexcitonic Triplet Pair Generation in Oligoacene Dendrimers as Amorphous Solid-state Miniatures, ANGEWANDTE CHEMIE-INTERNATIONAL EDITION , 제59권(집) , 제47호 , PP.20956~20964 , 2020.11.16

Activating intramolecular singlet exciton fission by altering p-bridge flexibility in perylene diimide trimers for organic solar cells, Chemical Science , 제11권(집) , 제33호 , PP.8757~8770 , 2020.09.07

Experimental, Structural, and Computational Investigation of Mixed Metal−Organic Frameworks from Regioisomeric Ligands for Porosity Control, CRYSTAL GROWTH & DESIGN , 제20권(집) , 제8호 , PP.5338~5345 , 2020.08.05

CuCl2-promoted decomposition of sulfonyl hydrazides for the synthesis of thiosulfonates, TETRAHEDRON LETTERS , 제61권(집) , 제29호 , 2020.07.16

New Direct Approach for Determining the Reverse Intersystem Crossing Rate in Organic Thermally Activated Delayed Fluorescent (TADF) Emitters, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY , 제142권(집) , 제18호 , PP.8074~8079 , 2020.05.06

Efficient Multiexciton State Generation in Charge-Transfer-Coupled Perylene Bisimide Dimers via Structural Control, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY , 제142권(집) , 제17호 , PP.7845~7857 , 2020.04.29

Reductive Electrophotocatalysis: Merging Electricity and Light To Achieve Extreme Reduction Potentials, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY , 제142권(집) , 제5호 , PP.2087~2092 , 2020.02.05

Application of Intramolecular Singlet Fission in Photovoltaics: Control over Multiexciton Generation and Triplet–Triplet Annihilation, BULLETIN OF THE KOREAN CHEMICAL SOCIETY , 제41권(집) , 제2호 , PP.108~109 , 2020.02.01

Effect of the metal within regioisomeric paddle‐wheel‐type metal‐organic frameworks, CHEMISTRY-A EUROPEAN JOURNAL , 제25권(집) , 제63호 , PP.14414~14420 , 2019.11.13

Energy refinement and analysis of structures in the QM9 database via G4MP2, Scientific Data , 2019.06.23

Sustainable and recyclable super engineering thermoplastic from biorenewable monomer, Nature Communications , 2019.06.13

Simultaneous enhancement of mechanical and electrical properties of carbon nanotube fiber by infiltration and subsequent carbonization of resorcinol-formaldehyde resin, COMPOSITES PART B-ENGINEERING , 제163권(집) , PP.431~437 , 2019.04.15

Using ultra-fast spectroscopy to probe the excited state dynamics of a reported highly efficient thermally activated delayed fluorescence chromophore, JOURNAL OF MATERIALS CHEMISTRY C , 제7권(집) , 제14호 , PP.4210~4221 , 2019.04.14

A seed-mediated growth of gold nanoparticles inside carbon nanotube fibers for fabrication of multifunctional nanohybrid fibers with enhanced mechanical and electrical properties, NANOSCALE , 제11권(집) , 제12호 , PP.5295~5303 , 2019.03.28

Laser desorption/ionization mass spectrometry-based compositional analysis of Au–Ag nanoplates synthesized by galvanic replacement and their application for small molecule analysis, JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY , 제71권(집) , PP.318~326 , 2019.03.25

Coupled double triplet state in singlet fission, PHYSICAL CHEMISTRY CHEMICAL PHYSICS , 제20권(집) , 제48호 , PP.30083~30094 , 2018.11.28

Investigating the Optical Properties of Thiophene Additions to s-Indacene Donors with Diketopyrrolopyrrole, Isoindigo, and Thienothiophene Acceptors, Journal of Physical Chemistry C , 제122권(집) , 제48호 , PP.27713~27733 , 2018.11.02

Synergistic effect of UV and L-ascorbic acid on the reduction of graphene oxide: Reduction kinetics and quantum chemical simulations, SOLID STATE SCIENCES , 제84권(집) , PP.120~125 , 2018.09.05

Heteroatom and Side Chain Effects on the Optical and Photophysical Properties: Ultrafast and Nonlinear Spectroscopy of New Naphtho[1,2‑b:5,6‑b′]difuran Donor Polymers, Journal of Physical Chemistry C , 제122권(집) , 제30호 , PP.17049~17066 , 2018.07.11

Charge Transfer and Aggregation Effects on the Performance of Planar vs Twisted Nonfullerene Acceptor Isomers for Organic Solar Cells, CHEMISTRY OF MATERIALS , 제30권(집) , 제13호 , PP.4263~4276 , 2018.06.12

Enacting Two-Electron Transfer from a Double-Triplet State of Intramolecular Singlet Fission, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY , 제140권(집) , 제25호 , PP.7760~7763 , 2018.05.09

Reducing Agent-Assisted Excessive Galvanic Replacement Mediated Seed-Mediated Synthesis of Porous Gold Nanoplates and Highly Efficient Gene-Thermo Cancer Therapy, ACS Applied Materials & Interfaces , 제9권(집) , 제40호 , PP.35268~35278 , 2017.09.22

Density Functional Physicality in Electronic Coupling Estimation: Benchmarks and Error Analysis, Journal of Physical Chemistry Letters , 제8권(집) , 제14호 , PP.3242~3248 , 2017.06.29

Achieving Accurate Reduction Potential Predictions for Anthraquinones in Water and Aprotic Solvents: Effects of Inter- and Intramolecular H‑Bonding and Ion Pairing, Journal of Physical Chemistry C , 제120권(집) , 제39호 , PP.22235~22247 , 2016.09.13

Induction and control of supramolecular chirality by light in self-assembled helical nanostructures, Nature Communications , 제6호 , 2015.04.23

H+-Assisted fluorescent differentiation of Cu+ and Cu2+: effect of Al3+-induced acidity on chemical sensing and generation of two novel and independent logic gating pathways, CHEMICAL COMMUNICATIONS , 제51권(집) , 제29호 , PP.6357~6360 , 2015.03.02

Heteroleptic Cyclometalated Iridium(III) Complexes Supported by Triarylborylpicolinate Ligand: Ratiometric Turn-On Phosphorescence Response upon Fluoride Binding, INORGANIC CHEMISTRY , 제53권(집) , 제16호 , PP.8672~8680 , 2014.08.04

Novel Reversible Zn2+-Assisted Biological Phosphate “Turn-On” Probing through Stable Aryl-hydrazone Salicylaldimine Conjugation That Attenuates Ligand Hydrolysis, INORGANIC CHEMISTRY , 제52권(집) , 제17호 , PP.10052~10061 , 2013.08.14

A Protocol to Evaluate One Electron Redox Potential for Iron Complexes, JOURNAL OF COMPUTATIONAL CHEMISTRY , 제34권(집) , 제26호 , PP.2233~2241 , 2013.07.19

Heteroleptic tris-cyclometalated iridium(III) complexes supported by an o-carboranyl-pyridine ligand, DALTON TRANSACTIONS , 제42권(집) , 제24호 , PP.8549~8552 , 2013.04.24