Search Results - "Lee, Hoonkyung"
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Improvement of Gas-Sensing Performance of Large-Area Tungsten Disulfide Nanosheets by Surface Functionalization
Published in ACS nano (25-10-2016)“…Semiconducting two-dimensional (2D) transition metal dichalcogenides (TMDCs) are promising gas-sensing materials due to their large surface-to-volume ratio…”
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Amorphous-Phase-Mediated Crystallization of Ni Nanocrystals Revealed by High-Resolution Liquid-Phase Electron Microscopy
Published in Journal of the American Chemical Society (16-01-2019)“…Nonclassical features of crystallization in solution have been recently identified both experimentally and theoretically. In particular, an…”
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3
Band gap engineering of 2D biphenylene carbon sheets with hydrogenation
Published in Journal of the Korean Physical Society (01-11-2021)“…A new 2D material of biphenylene sp 2 -bybridized carbon sheet, a nonbenzenoid carbon allotrope, has been discovered. Using first-principles calculations, we…”
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Off-Plane Dielectric Screening of Few-Layer Graphdiyne and Its Family
Published in ACS applied materials & interfaces (23-01-2019)“…We performed first-principles calculations on few-layer graphdiyne (GDY) and its family, sp–sp2 hybrid carbon atomic layers, for an off-plane, static…”
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Combinatorial search for optimal hydrogen-storage nanomaterials based on polymers
Published in Physical review letters (04-08-2006)“…We perform an extensive combinatorial search for optimal nanostructured hydrogen-storage materials among various metal-decorated polymers using…”
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Enhancement of H2 adsorption on a boron-doped carbon system for hydrogen storage
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7
Gate-controlled ionization and screening of cobalt adatoms on a graphene surface
Published in Nature physics (01-01-2011)“…Graphene impurities provide both a source of mobility-limiting disorder and a means to desirably alter graphene electronic structure. Adsorbates on graphene…”
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Optimization of metal-insulated-semiconductor field-effect-transistor for the formation of two-dimensional electron gas in dopant-free systems
Published in Current applied physics (01-10-2024)“…We developed a geometry of metal-insulated-semiconductor field-effect-transistor for the formation of two-dimensional electron gas (2DEG) in dopant-free…”
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Fe–Porphyrin-like Nanostructures for Selective Ammonia Capture under Humid Conditions
Published in Journal of physical chemistry. C (01-02-2018)“…We performed a computational search for selective NH3 capture of metal–porphyrin-like graphenes using first-principles density functional theory calculations…”
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Exceptional Optoelectronic Properties of Hydrogenated Bilayer Silicene
Published in Physical review. X (19-05-2014)“…Silicon is arguably the best electronic material, but it is not a good optoelectronic material. By employing first-principles calculations and the…”
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Efficient Sensing Properties of Aluminum Nitride Nanosheets toward Toxic Pollutants under Gated Electric Field
Published in ACS applied electronic materials (23-06-2020)“…Based on density functional theory simulations, we explore the adsorption characteristics, charge transfer mechanism, and electronic properties of a range of…”
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Recent progress on Kubas-type hydrogen-storage nanomaterials: from theories to experiments
Published in Journal of the Korean Physical Society (01-06-2015)“…Transition-metal (TM) atoms are known to form TM-H 2 complexes, which are collectively called Kubas dihydrogen complexes. The TM-H 2 complexes are formed…”
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Edge stability of boron nitride nanoribbons and its application in designing hybrid BNC structures
Published in Nano research (01-01-2012)“…First-principles investigations of the edge energies and edge stresses of single-layer hexagonal boron nitride (BN) are presented. The armchair edges of BN…”
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Nature of Interlayer Binding and Stacking of sp–sp2 Hybridized Carbon Layers: A Quantum Monte Carlo Study
Published in Journal of chemical theory and computation (14-11-2017)“…α-Graphyne is a two-dimensional sheet of sp–sp2 hybridized carbon atoms in a honeycomb lattice. While the geometrical structure is similar to that of graphene,…”
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Physisorption and Chemisorption of SF6 by Transition Metal-Porphyrin Structure Embedded on Graphene Surface with Different Hapticities
Published in Journal of the Korean Physical Society (01-06-2020)“…The adsorption of sulfur hexafluoride (SF 6 ) by a transition metal-porphyrin structure embedded on the surface of graphene (MN 4 -graphene) was evaluated…”
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Conversion of CO2 into Formic Acid on Transition Metal-Porphyrin-like Graphene: First Principles Calculations
Published in ACS omega (19-10-2021)“…Recently, transition metal (TM)-porphyrin-like graphene has been predicted to be a promising material for CO2 capturing under favorable conditions. Such…”
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Intrinsic half-metallic BN-C nanotubes
Published in Applied physics letters (26-07-2010)“…Using spin-polarized density functional theory calculations, we demonstrate that hybrid BN-C nanotubes (BN-CNTs) have diverse electronic and magnetic…”
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Control of CO2 Capture Process on Transition-Metal-Porphyrin-like Graphene with Mechanical Strain
Published in ACS omega (30-09-2018)“…Nanomaterials, such as zeolites and metal–organic frameworks, have been studied for CO2 capture and sequestration. However, this application of nanomaterials…”
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sp–sp2 Carbon Sheets as Promising Anode Materials for Na-Ion Batteries
Published in ACS omega (31-10-2018)“…We explore the applicability of graphynes, two-dimensional carbon sheets with sp- and sp2-bonds, as sodium (Na)-ion battery anodes using first-principles…”
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Universal Oriented van der Waals Epitaxy of 1D Cyanide Chains on Hexagonal 2D Crystals
Published in Advanced science (01-02-2020)“…The atomic or molecular assembly on 2D materials through the relatively weak van der Waals interaction is quite different from the conventional heteroepitaxy…”
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