Jae Wan Chung

WooJin Kim

SeoYeun Kim

Su Hwa Cho

Ji Hee Kim

Seung Woo Nam

Daehyung Kim

Yujeong Chun

Dongin Jung

The research group designs new classes of materials in-silico using simulation and machine learning.

시뮬레이션 및 머신러닝을 활용하여 새로운 종류의 물질을 설계한다.

Structural polymorphism in bent-core liquid crystals: from helical nanofilaments to heliconical-layered microcylinders with light-responsive properties

Active Learning-Guided Accelerated Discovery of Ultra-Efficient High-Entropy Thermoelectrics

Cell-Penetrating Peptide-engineered Solid Lipid Nanoparticles for Enhanced Endocytotic Internalization and Transdermal Penetration

Competitive Adsorption in Polymer Nanocomposites: The Molecular Weight and End-Group Effect Revealed by SANS and MD Simulations

Ni–deficient NiO/downsized RuO2 composite catalyst with rivalrous size evolution for rechargeable Li–CO2 batteries

Microstructure-driven enhancement of malleability and hydrogen transport properties in V-Cu-Ni-Al hydrogen separation membranes

Electrochemical anilinium reduction: identifying the metastable surface intermediate on Pt and its voltage-driven decomposition to hydrogen evolution

Controlling 2D Nanoparticle Self-Assembly Mesophases via Symmetry Breaking Driven by Single Bottlebrush Polymer Conjugation

From prediction to synthesis: DFT-active learning-guided design of multimetallic catalysts for hydrogen evolution

Water-in-Salt Electrolyte Stabilizes Pyrazine Radical: Suppression of Its Aggregation by Interaction between Pyrazine and Li(H2O)n+

Rapid-heating-assisted metal–support interaction formation: Pd nanoparticles on boron nitride nanotubes as electrocatalysts for high N 2-to-ammonia yields

Ultrafast and Universal Synthetic Route for Nanostructured Transition Metal Oxides Directly Grown on Substrates

Sequential multidimensional heteroepitaxy of chalcogen-sharing 3D ZnSe and 2D MoSe2 with quasi van der Waals interface engineering

Enhancing solubility of organic crystalline ingredients in aqueous phase through preferential spatial association with polyols

Insights into the synergy effect in dual single-atom catalysts on defective CeO2 under CO2 hydrogenation

Self-assembly of Architected Macromolecules: Bridging a Gap between Experiments and Simulations

Novel Anchored Branched Polymer Coating Layers for Enhanced Redox Kinetics in Aqueous Zinc-Ion Batteries

Activity-Drop of Hydrogen Evolution Reaction in LiNO3 Based “Hydronium-in-Salt” Acidic Electrolytes on Platinum Enables Electrochemical Nitrate Reduction

Characterization of interactions in battery slurry via MD simulation: Influence on miscibility, morphology, and dispersion with varying ACN content in HNBR

Clinically-Driven Rapidly Developed Nanoparticle Corona for Label-Free Cerebrospinal Fluid Leakage Detection

Separator-Supported Electrode Configuration for Ultra-High Energy Density Lithium Secondary Battery

Unveiling Aqueous Polymerization of Poly(amic acid) Salts for Eco-Friendly and Robust Aromatic Polyimide Structuring

Scaling Behavior of Solution Self-Assembled Micelle of Sequence-Controlled Bottlebrush Copolymer

Two-Regime Conformation of Grafted Polymer on Nanoparticle Determines Symmetry of Nanoparticle Self-Assembly

Systematic Selection of High Affinity ssDNA Sequences to Carbon Nanotubes

Self-assembly prediction of architecture-controlled bottlebrush copolymers in solution using graph convolutional networks

Icosahedral supracrystal assembly from polymer-grafted nanoparticles via interplay of interfacial energy and confinement effect

Rational Design of 3D Polymer Corona Interfaces of Single-Walled Carbon Nanotubes for Receptor-Free Virus Recognition

Probing Local pH Change during Electrode Oxidation of TEMPO Derivative: Implication of Redox-Induced Acidity Alternation by Imidazolium-Linker Functional Groups

Area-selective atomic layer deposition on 2D monolayer lateral superlattices

Threading Subunits for Polymers to Predict the Equilibrium Ensemble of Solid Polymer Electrolytes

Redox-driven confinement of quinone with imidazole in sub-nanometer sized porous carbon space mitigating chemical degradation for aqueous energy storage

Precise and selective macroscopic assembly of a dual lock-and-key structured hydrogel

Covalent conjugation of a ‘hydroxide-philic’ functional group achieving ‘hydroxide-phobic’ TEMPO with superior stability in all-organic aqueous redox flow batteries

Determination of Glass Transition Temperatures in Bulk and Micellar Nanoconfined Polymers by Using Fluorescent Molecular Rotors as Probes for Changes in Free Volume

Overlimiting current by iodide electrode oxidation in aqueous media: an electrogenerated iodine interphase with positively charged channels stimulating in situ electrokinetic iodide transport

Molecular dynamics study of shear-induced lamellar alignment of ABA triblock copolymer thin films

Crystallization behavior of polyvinylidene fluoride (PVDF) in NMP/DMF solvents: a molecular dynamics study

Exploring Optimal Water Splitting Bifunctional Alloy Catalyst by Pareto Active Learning

Two-Dimensional Demixing within Multilayered Nanoemulsion Films

High β-phase Poly(vinylidene fluoride) Using A Thermally Decomposable Molecular Splint

Redox-Transition from Irreversible to Reversible Vitamin C by Pore Confinement in Microporous Carbon Network

Searching for an Optimal Multi-Metallic Alloy Catalyst by Active Learning Combined with Experiments

In Situ Supramolecular Polymerization of Micellar Nanoobjects Induced by Polymerization

Alcohol-sensing microfiber: Dependence of conductance of a hydrated composite fiber on normal aliphatic alcohol

Folding of Sequence-Controlled Graft Copolymers to Subdomain-Defined Single-Chain Nanoparticles

Universal vertical standing of block copolymer microdomains enabled by a gradient block

Molecular Dynamics Simulation of Silicon Dioxide Etching by Hydrogen Fluoride Using the Reactive Force Field

Shear-Rolling Process for Unidirectionally and Perpendicularly Oriented Sub-10-nm Block Copolymer Patterns on the 4 in Scale

Self-assembly of rod-coil diblock copolymer-nanoparticle composites in thin films: dissipative particle dynamics

Simulation and Fabrication of Nanoscale Spirals Based on Dual-Scale Self-Assemblies

Self-Assembly of Monolayer Vesicles via Backbone-Shiftable Synthesis of Janus Core-Shell Bottlebrush Polymer

Phase behavior of disk-coil block copolymers under cylindrical confinement: Curvature-induced structural frustrations

Regioregularity controlled phase behavior for Poly(3-hexylthiophene): A combined study of simple coarse-grained simulation and experiment

Tuning Solute-Redistribution Dynamics for Scalable Fabrication of Colloidal Quantum-Dot Optoelectronics

Shape control of nanostructured cone-shaped particles by tuning the blend morphology of A-b-B diblock copolymers and C-type copolymers within emulsion droplets

Shape-Anisotropic Diblock Copolymer Particles from Evaporative Emulsions: Experiment and Theory

Development of Shape-Tuned, Monodisperse Block Copolymer Particles through Solvent-Mediated Particle Restructuring

Individual Confinement of Block Copolymer Microdomains in Nanoscale Crossbar Templates

Aspect Ratio-Controlled Synthesis of Uniform Colloidal Block Copolymer Ellipsoid from Evaporative Emulsions

Morphological evolution of block copolymer particles: Effect of solvent evaporation rate on particle shape and morphology

Soft Patchy Particles of Block Copolymers from Interface-Engineered Emulsions

Searching for an optimal multi‐metallic alloy catalyst by active learning combined with experiments

Shape-anisotropic diblock copolymer particles from evaporative emulsions: Experiment and theory

Eliminating the trade‐off between the throughput and pattern quality of sub‐15 nm directed self‐assembly via warm solvent annealing

Exploring optimal water splitting bifunctional alloy catalyst by pareto active learning

Development of shape-tuned, monodisperse block copolymer particles through solvent-mediated particle restructuring

Aspect ratio-controlled synthesis of uniform colloidal block copolymer ellipsoids from evaporative emulsions

Tuning Solute‐Redistribution Dynamics for Scalable Fabrication of Colloidal Quantum‐Dot Optoelectronics

Self-assembly of monolayer vesicles via backbone-shiftable synthesis of janus core–shell bottlebrush polymer

Host-guest self-assembly in block copolymer blends

Block copolymer with an extremely high block-to-block interaction for a significant reduction of line-edge fluctuations in self-assembled patterns

Regioregularity-driven morphological transition of poly (3-hexylthiophene)-based block copolymers

Molecular dynamics simulation of silicon dioxide etching by hydrogen fluoride using the reactive force field

High β‐phase Poly (vinylidene fluoride) Using a Thermally Decomposable Molecular Splint

Shear-rolling process for unidirectionally and perpendicularly oriented sub-10-nm block copolymer patterns on the 4 in scale

Thermodynamic and Kinetic Tuning of Block Copolymer Based on Random Copolymerization for High‐Quality Sub‐6 nm Pattern Formation

Yeon Sik Jung

Bumjoon J. Kim

Kang Hee Ku

Hongseok Yun

Jaeman J. Shin

Alfredo Alexander-Katz

Gi-Ra Yi (이기라)

Woon Ik Park

Jeong Gon Son

Tae won Nam

Hsieh Chen

Edwin L. Thomas

Jung-Keun Yoo (유정근)

YongJoo Kim

Shape and morphology of polymeric particles are of great importance in controlling their optical properties or self-assembly into unusual superstructures. Confinement of block copolymers (BCPs) in evaporative emulsions affords particles with diverse structures, including prolate ellipsoids, onion-like spheres, oblate ellipsoids, and others. Herein, we report that the evaporation rate of solvent from emulsions encapsulating symmetric polystyrene- b -polybutadiene (PS- b -PB) determines the shape and internal nanostructure of micron-sized BCP particles. A distinct morphological transition from the ellipsoids with striped lamellae to the onion-like spheres was observed with decreasing evaporation rate. Experiments and dissipative particle dynamics (DPD) simulations showed that the evaporation rate affected the organization of BCPs at the particle surface, which determined the final shape and internal nanostructure of …

We report a simple and practical method for creating colloidal patchy particles with a variety of three-dimensional shapes via the evaporation-induced assembly of polystyrene- b -poly(4-vinylpyridine) (PS- b -P4VP) block copolymer (BCP) in an oil-in-water emulsion. Depending on the particle volume, a series of patchy particles in the shapes of snowmen, dumbbells, triangles, tetrahedra, and raspberry can be prepared, which are then precisely tuned by modulating the interfacial interaction at the particle/water interface using a mixture of two different surfactants. Moreover, for a given interfacial interaction, the stretching penalty of the BCPs in the patchy particles can be systematically controlled by adding P4VP homopolymers, which decreases the number of patches of soft particles from multiple patches to a single patch but increases the size of the patch. Calculations based on the strong segregation theory supported …

Searching for an optimal component and composition of multi‐metallic alloy catalysts, comprising two or more elements, is one of the key issues in catalysis research. Due to the exhaustive data requirement of conventional machine‐learning (ML) models and the high cost of experimental trials, current approaches rely mainly on the combination of density functional theory and ML techniques. In this study, a significant step is taken toward overcoming limitations by the interplay of experiment and active learning to effectively search for an optimal component and composition of multi‐metallic alloy catalysts. The active‐learning model is iteratively updated using by examining electrocatalytic performance of fabricated solid‐solution nanoparticles for the hydrogen evolution reaction (HER). An optimal metal precursor composition of Pt 0.65 Ru 0.30 Ni 0.05 exhibits an HER overpotential of 54.2 mV, which is superior to that of …

Self-assembly of block copolymers (BCPs) in evaporative emulsion provides a simple and effective route for the preparation of anisotropic particles with controlled shape and size. Understanding of thermodynamic phenomena associated with the bending/stretching of the BCP chains confined within the particles is necessary to enable precise control of the shape and microstructure of the particles. Herein, we report the systematic design of shape-anisotropic diblock copolymer (dBCP) particles based on a new theoretical model that includes entropic penalty associated with bending of dBCP chains upon deformation of the particles. First, we produced convex lens-shaped (oblate) and football-shaped (prolate) polystyrene- b -polydimethylsiloxane (PS- b -PDMS) particles, where the aspect ratios (AR, defined as the major axis length divided by minor axis length) were varied. Of note, the AR of the oblate particles …

The directed self‐assembly (DSA) of block copolymers (BCPs) has been suggested as a promising nanofabrication solution. However, further improvements of both the pattern quality and manufacturability remain as critical challenges. Although the use of BCPs with a high Flory‐Huggins interaction parameter ( χ ) has been suggested as a potential solution, this practical self‐assembly route has yet to be developed due to their extremely slow self‐assembly kinetics. In this study, it is reported that warm solvent annealing (WSA) in a controlled environment can markedly improve both the self‐assembly kinetics and pattern quality. A means of avoiding the undesirable trade‐off between the quality and formation throughput of the self‐assembled patterns, which is a dilemma which arises when using the conventional solvent vapor treatment, is suggested. As a demonstration, the formation of well‐defined 13‐nm‐wide self …

Design of bifunctional multimetallic alloy catalysts, which are one of the most promising candidates for water splitting, is a significant issue for the efficient production of renewable energy. Owing to large dimensions of the components and composition of multimetallic alloys, as well as the trade‐off behavior in terms of the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) overpotentials for bifunctional catalysts, it is difficult to search for high‐performance bifunctional catalysts with multimetallic alloys using conventional trial‐and‐error experiments. Here, an optimal bifunctional catalyst for water splitting is obtained by combining Pareto active learning and experiments, where 110 experimental data points out of 77946 possible points lead to effective model development. The as‐obtained bifunctional catalysts for HER and OER exhibit high performance, which is revealed by model development …

Control of the shape, size, internal structure, and uniformity of block copolymer (BCP) particles is crucial for determining their utility and functionality in practical applications. Here, we demonstrate a particle restructuring by solvent engineering (PRSE) strategy that combines membrane emulsification and solvent annealing processes to produce monodisperse BCP particles with controlled size, shape, and internal structure. A major advantage of the PRSE approach is the general applicability to different families of functional BCPs, including polystyrene- block -poly(1,4-butadiene) (PS- b -PB), polystyrene- block -poly(dimethylsiloxane) (PS- b -PDMS), and polystyrene- block -poly(4-vinylpyridine) (PS- b -P4VP). PRSE starts with the production of monodisperse BCP spheres in a wide range of particle sizes (from hundreds of nanometers to several tens of microns) using membrane emulsification, followed by successful …

Block copolymers (BCPs) confined in evaporative emulsions can assemble into ellipsoidal particles when solvent evaporation is faster than polymer diffusion within the droplet. Here, we report the synthesis of monodisperse, ellipsoidal polystyrene- block -1,4-polybutadiene (PS- b -PB) BCP particles with tunable aspect ratios (ARs) ranging from 1.0 to 2.2 and particle sizes ranging from 0.1 to 5 μm by membrane emulsification and subsequent solvent evaporation. The ratio of the propagation distance ( l p ) of ordered BCP domains perpendicular to the particle surface to the particle size ( r BCP ), or l p / r BCP , was found to be a critical parameter dictating the particle shape, where l p / r BCP > 1 yielded ellipsoids. We show that the AR of colloidal BCP ellipsoids can be precisely controlled by varying particle size (i.e., membrane pore size) and BCP molecular weight, as predicted by theoretical calculations of the free energy of …

Solution‐processed colloidal quantum dots (CQDs) are attractive materials for the realization of low‐cost and efficient optoelectronic devices. Although impressive CQD‐solar‐cell performance has been achieved, the fabrication of CQD films is still limited to laboratory‐scale small areas because of the complicated deposition of CQD inks. Large‐area, uniform deposition of lead sulfide (PbS) CQD inks is successfully realized for photovoltaic device applications by engineering the solute redistribution of CQD droplets. It is shown experimentally and theoretically that the solute‐redistribution dynamics of CQD droplets are highly dependent on the movement of the contact line and on the evaporation kinetics of the solvent. By lowering the friction constant of the contact line and increasing the evaporation rate of the droplets, a uniform deposition of CQD ink in length and width over large areas is realized. By utilizing a …

We report the self-assembly of monolayer vesicles from Janus core–shell bottlebrush polymers. A route was developed to synthesize doubly grafted bottlebrush copolymers (DGBCPs) possessing A- b -B and B′- b -C side chains on a single repeating unit. Graft-through ring-opening metathesis polymerization of a norbornene moiety installed by single unit monomer insertion allowed us to place the backbone on any repeating unit of the core (B and B′) block. By decorating each core chain end with different chains via reversible addition–fragmentation chain transfer polymerization, we can obtain nanoobjects with an asymmetric B core and a phase-separated A/C shell. We demonstrate that polystyrene- branch -polystyrene′ and polylactide- b -polystyrene- branch -polystyrene′- b -poly( n -butyl acrylate) macromonomers can be successfully synthesized and polymerized to produce DGBCPs in high yields (81–94 …

Ultrafine, uniform nanostructures with excellent functionalities can be formed by self-assembly of block copolymer (BCP) thin films. However, extension of their geometric variability is not straightforward due to their limited thin film morphologies. Here, we report that unusual and spontaneous positioning between host and guest BCP microdomains, even in the absence of H-bond linkages, can create hybridized morphologies that cannot be formed from a neat BCP. Our self-consistent field theory (SCFT) simulation results theoretically support that the precise registration of a spherical BCP microdomain (guest, B- b -C) at the center of a perforated lamellar BCP nanostructure (host, A- b -B) can energetically stabilize the blended morphology. As an exemplary application of the hybrid nanotemplate, a nanoring-type Ge 2 Sb 2 Te 5 (GST) phase-change memory device with an extremely low switching current is demonstrated …

Directed self-assembly (DSA) of block copolymers (BCPs) with a high Flory–Huggins interaction parameter (χ) provides advantages of pattern size reduction below 10 nm and improved pattern quality. Despite theoretical predictions, however, the questions of whether BCPs with a much higher χ than conventional high-χ BCPs can further improve the line edge roughness (LER) and how to overcome their extremely slow self-assembly kinetics remain unanswered. Here, we report the synthesis and assembly of poly(4vinylpyridine- b -dimethylsiloxane) BCP with an extremely high χ-parameter (estimated to be approximately 7 times higher compared to that of poly(styrene- b -dimethylsiloxane) – a conventional high-χ BCP) and achieve a markedly low 3σ line edge roughness of 0.98 nm, corresponding to 6% of its line width. Moreover, we demonstrate the successful application of an ethanol-based 60 °C warm solvent …

Conjugated polymer-based block copolymers (BCPs) offer great potential to provide beneficial nanostructures for efficient organic optoelectronics. However, their complicated self-assembly behavior, which is attributed to the strong crystallization of conjugated blocks, is still not well understood due to the lack of a model BCP system. Herein, we develop a series of novel conjugated polymer-based BCPs, poly(3-hexylthiophene)- block -poly(2-vinylpyridine) (P3HT- b -P2VP), in which the regioregularity (RR) of the P3HT block was varied from 95 to 73%. The tunable RR content allows for precise regulation of P3HT crystallization with minimal influence on the microphase-separation force between the P3HT and P2VP blocks. When RR is high (i.e., 95 or 85%), structure formation is controlled by crystallization of P3HT, and the ultimate structure is characterized by nanoscale P3HT fibrils in an amorphous matrix. In contrast …

In this study, we develop a reactive force field (ReaxFF) for a Si/O/H/F system to perform etching simulations of SiO 2 with an HF etchant. Quantum mechanical (QM) training sets from density functional theory calculations, which contain structures of reactant/product and energies with bond dissociation, valence angle distortions, and reactions between SiO 2 clusters and SiO 2 slab with HF gases, are used to optimize the ReaxFF parameters. Structures and energies calculated using the ReaxFF match well with the QM training sets. Using the optimized ReaxFF, we conduct molecular dynamics simulations of the etching process of SiO 2 substrates with active HF molecules. The etching yield and number of reaction products with different incident energies of the HF etchant are investigated. These simulations show that the developed ReaxFF offers insights into the atomistic surface reaction of the SiO 2 etching process.

The advanced patterning process is the basis of integration technology to realize the development of next-generation high-speed, low-power consumption devices. Recently, area-selective atomic layer deposition (AS-ALD), which allows the direct deposition of target materials on the desired area using a deposition barrier, has emerged as an alternative patterning process. However, the AS-ALD process remains challenging to use for the improvement of patterning resolution and selectivity. In this study, we report a superlattice-based AS-ALD (SAS-ALD) process using a two-dimensional (2D) MoS 2 -MoSe 2 lateral superlattice as a pre-defining template. We achieved a minimum half pitch size of a sub-10 nm scale for the resulting AS-ALD on the 2D superlattice template by controlling the duration time of chemical vapor deposition (CVD) precursors. SAS-ALD introduces a mechanism that enables selectivity through …

An additive, 1,4‐butadiene sulfone (BDS), which generates H 2 SO 3 by in situ thermal retro‐Diels‐Alder decompositions, is used for preparing high β‐phase polyvinylidene fluoride (PVDF) films. Because of preferential multiple non‐covalent interactions of H 2 SO 3 with all‐trans configuration of PVDF, β‐phase PVDF is spontaneously induced without mechanical drawing and/or extensive thermal annealing process. PVDF films cast from PVDF/BDS/water solutions exhibit high β‐phase content ( f β = 95%) when the BDS concentration is only c BDS = 1.0 wt%, which is confirmed by polarized optical microscopy (POM), SEM, Fourier transform infrared spectroscopy (FT‐IR), differential scan calorimetry (DSC), and 2D grazing incidence wide‐angle X‐ray scattering (GIWAXS). Because of the high β‐phase content, PVDF films prepared by using BDS exhibit excellent ferroelectric and piezoelectric properties ( E c = 50 MV/m, P …

Shear alignment of the block copolymer (BCP) thin film is one of the promising directed self-assembly (DSA) methodologies for the unidirectional alignment of sub-10 nm microdomains of BCPs for next-generation nanolithography and nanowire-grid polarizers. However, because of the differences in the surface/interfacial energies at the top surface/bottom interface, the shear-induced ordering of BCP nanopatterns has been restricted to BCPs with spherical and cylindrical nanopatterns and cannot be realized for high-aspect-ratio perpendicular lamellar structures, which is essential for practical application to semiconductor pattern processes. It is still a difficult challenge to fabricate the unidirectional alignment in a short time over a large area. In this study, we propose an approach for combining the shear-rolling process with the filtered plasma treatment of BCP films for the fabrication of unidirectionally aligned and …

The precisely controllable self‐assembly phenomenon of block copolymers (BCPs) has garnered much attention because it yields well‐defined periodic nanostructures with a periodicity of 5–50 nm. However, from both thermodynamic and kinetic viewpoints, it still remains a challenge to develop a BCP material that can provide sub‐10 nm resolution, high pattern quality, fast pattern formation, and sufficient etch selectivity. To address these challenges, this study reports a BCP system containing a random‐copolymerized block (poly(2‐vinylpyridine‐ co ‐4‐vinylpyridne)‐ b ‐poly(dimethylsiloxane) (P(2VP ‐co‐ 4VP)‐ b ‐PDMS)) that can provide sub‐6 nm resolution, 3σ line edge roughness of 0.89 nm, sub‐1‐min assembly time, and a high etch selectivity over 10. Calculation of the Flory–Huggins interaction parameter (χ) based on Leibler's mean‐field theory and small‐angle X‐ray scattering measurement data confirms …

Block copolymers (BCPs) under colloidal confinement can provide an effective route to produce non-spherical particles. However, the resulting structures are typically limited to spheroids, and it remains challenging to achieve a higher level of control in the particle shape with different symmetries. Herein, we exploit the blend of BCPs and statistical copolymers (sCPs) within emulsion droplets to develop a series of particles with different symmetries (i.e. Janus-sphere and cone-shaped particles). The particle shape is tunable by controlling the phase behavior of the polymer blend consisting of a poly(styrene-block-1,4-butadiene) (PS-b-PB) BCP and a poly(methylmethacrylate-statistical-(4-acryloylbenzophenone)) (P(MMA-stat-4ABP)) sCP. A key strategy for controlling the phase separation of the polymer blend is to systematically tune the incompatibility between the BCP and sCP by varying the composition of the …

In this study, the crystallization behavior of polyvinylidene fluoride (PVDF) in NMP/DMF solvent at 9 to 67 weight percent (wt%) was analyzed by molecular dynamics (MD) simulation. The PVDF phase did not gradually change with the incremental increase in PVDF wt%, but displayed rapid shifts at 34 and 50 wt% in both solvents. The solvation behavior between the two solvents was quite identical from the similar radial distribution functions. However, PVDFs in DMF solvent showed a higher ratio of β phase crystalline structures than those in NMP solvent. It was found that DMF solvents were more tightly packed near trans state PVDF fluorine compared to NMP solvents. Also, NMP oxygen atoms interacted more favorably with gauche state PVDF hydrogen atoms over DMF oxygen atoms. The evaluation of properties observed in atomic scale interactions, such as trans state inhibition and gauche state preference, can …

In-silico Materials Design Laboratory

교수님 소개

김용주

연구실 소개

연구실 키워드

알럼나이가 간 회사

연구실 지원 방법

대우 조건

연도별 논문 인용수

저널 & 학회 논문 출판 수

연구실 논문 목록

Structural polymorphism in bent-core liquid crystals: from helical nanofilaments to heliconical-layered microcylinders with light-responsive properties

Active Learning-Guided Accelerated Discovery of Ultra-Efficient High-Entropy Thermoelectrics

Cell-Penetrating Peptide-engineered Solid Lipid Nanoparticles for Enhanced Endocytotic Internalization and Transdermal Penetration

연구실 보유 특허

대학별 입시끈

우리 연구실 모집

교수님 소개

김용주

연구실 키워드

알럼나이가 간 회사

연구실 지원 방법

대우 조건

연도별 논문 인용수

저널 & 학회 논문 출판 수

연구실 논문 목록

Structural polymorphism in bent-core liquid crystals: from helical nanofilaments to heliconical-layered microcylinders with light-responsive properties

Active Learning-Guided Accelerated Discovery of Ultra-Efficient High-Entropy Thermoelectrics

Cell-Penetrating Peptide-engineered Solid Lipid Nanoparticles for Enhanced Endocytotic Internalization and Transdermal Penetration

연구실 보유 특허

최근 3년간 연구실적 높은 연구실

대학별 입시끈

우리 연구실 모집