Search Results - "Kwon, Hyunguk"

Effect of ammonia addition on suppressing soot formation in methane co-flow diffusion flames by Montgomery, Matthew J., Kwon, Hyunguk, Dreyer, Jochen A.H., Xuan, Yuan, McEnally, Charles S., Pfefferle, Lisa D.

“…Due to issues surrounding carbon dioxide emissions from carbon-containing fuels, there is growing interest in ammonia (NH3) as an alternative combustion fuel…”
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Density functional theory study for the enhanced sulfur tolerance of Ni catalysts by surface alloying by Hwang, Bohyun, Kwon, Hyunguk, Ko, Jeonghyun, Kim, Byung-Kook, Han, Jeong Woo

“…[Display omitted] •Promising Ni-based binary pair candidates were rationally selected through the stability analyses of the alloys.•In M/Ni(111) surface,…”
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Pyrolysis of bio-derived dioxolane fuels: A ReaxFF molecular dynamics study by Kwon, Hyunguk, Xuan, Yuan

“…•Pyrolysis of 3 alkyl-substituted 1,3-dioxolanes is investigated using ReaxFF MD.•Decomposition kinetics, reaction mechanism, and product spectrum are…”
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Role of Halide Ions for Controlling Morphology of Copper Nanocrystals in Aqueous Solution by Tang, Zengmin, Kwon, Hyunguk, Yi, Minyoung, Kim, Kyungpil, Han, Jeong Woo, Kim, Woo‐Sik, Yu, Taekyung

“…This paper reports the influence of halide ions on the morphology‐controlled synthesis of Cu nanocrystals in the aqueous phase. Cu nanocrystals with controlled…”
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Ab Initio Thermochemistry of Highly Flexible Molecules for Thermal Decomposition Analysis by Kwon, Hyunguk, Mpourmpakis, Giannis

“…Pyrolysis is a promising technology for chemical recycling of waste plastics, since it enables the generation of high-value chemicals with low capital and…”
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Corrigendum to “Pyrolysis of bio-derived dioxolane fuels: A ReaxFF molecular dynamics study” [Fuel 306 (2021) 121616] by Kwon, Hyunguk, Xuan, Yuan

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Role of surface termination and strain for oxygen incorporation on Fe-doped SrTiO3 surfaces by Kwon, Hyunguk, Han, Jeong Woo

“…Strain engineering is a promising approach to control the oxygen reduction reaction (ORR) kinetics of perovskite cathodes in solid oxide fuel cells (SOFCs)…”
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Pyrolysis of bio-derived dioxolane fuels: A ReaxFF molecular dynamics study by Kwon, Hyunguk, Xuan, Yuan

“…Alkyl-substituted 1,3-dioxolanes, including 4,5-dimethyl-2-pentan-3-yl-1,3-dioxolane (Fuel 1), 4,5-dimethyl-2-pentyl-1,3-dioxolane (Fuel 2), and…”
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Effects of water on the degradations in the Ni-YSZ anode of the direct ammonia solid oxide fuel cells by Lee, Hyunho, Kim, Jinwoo, Baek, Jaewan, Kwon, Hyunguk, Choi, Mingi

“…•We revealed the effect of water on the degradation of the direct ammonia solid oxide fuel cells.•Ammonia changes the chemical states of nickel, resulting in…”
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Numerical and experimental investigation of the correlation between inlet flow rates, temperature, and NOx emissions in pure hydrogen combustion by Le, Dang Khoi, Kwon, Hyunguk, Lee, Min Jung

“…•Assessed optimal condition for industrial burner using pure hydrogen combustion.•CFD simulations validated with ∼5 % temperature error and <2 % error in NOx…”
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Numerical and experimental investigation of the correlation between inlet flow rates, temperature, and N O x emissions in pure hydrogen combustion by Le, Dang Khoi, Kwon, Hyunguk, Lee, Min Jung

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ReaxFF molecular dynamics study on pyrolysis of bicyclic compounds for aviation fuel by Lele, Aditya, Kwon, Hyunguk, Ganeshan, Karthik, Xuan, Yuan, van Duin, Adri C.T.

“…•Determination of temperature-dependent decomposition mechanisms for novel polycyclic alkanes.•We identify and investigate two major reaction classes- the…”
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Atomistic Scale Modeling of Anode/Electrolyte Interfaces in Li-Ion Batteries by You, Hyo Min, Yoon, Yeongjun, Ko, Jeonghyun, Back, Jisu, Kwon, Hyunguk, Han, Jeong Woo, Kim, Kyeounghak

“…A key issue in lithium-ion batteries is understanding the solid electrolyte interphase (SEI) resulting from a reductive reaction on the anode/electrolyte…”
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Modulating interfacial electronic coupling of copper-mediated NiFe layered double hydroxide nanoprisms via structural engineering for efficient OER in wireless photovoltaic-coupled and anion exchange membrane water electrolysis by Chanda, Debabrata, Kwon, Hyunguk, Meshesha, Mikiyas Mekete, Gwon, Jang Seok, Ju, Minkyu, Kim, Kyeounghak, Yang, Bee Lyong

“…In this work, a facile method is used to fabricate Cu-mediated NiFe-LDH (CuNiFe-LDH) nanoprisms from conductive metal–organic frameworks (MOFs; NiFe MIL-88A)…”
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Numerical simulations of yield-based sooting tendencies of aromatic fuels using ReaxFF molecular dynamics by Kwon, Hyunguk, Shabnam, Sharmin, van Duin, Adri C.T., Xuan, Yuan

“…•ReaxFF MD-based framework is developed to predict yield-based sooting tendencies.•Results are validated against existing chemical kinetic understanding and…”
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Synergistic integration of MXene  nanosheets with CdS@TiO2 core@shell S-scheme photocatalyst for augmented hydrogen generation by Navakoteswara Rao, Vempuluru, Kwon, Hyunguk, Lee, Yonghee, Ravi, Parnapalli, Won Ahn, Chi, Kim, Kyeounghak, Mo Yang, Jun

“…[Display omitted] •The Mxene nanosheets coupled with core–shell photocatalyst system by facile synthesis process.•The developed hierarchal nanostructures had a…”
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Suppression of Cation Segregation in (La,Sr)CoO3−δ by Elastic Energy Minimization by Koo, Ja Yang, Kwon, Hyunguk, Ahn, Minwoo, Choi, Mingi, Son, Ji-Won, Han, Jeong Woo, Lee, Wonyoung

“…Strontium segregation at perovskite surfaces deteriorates the oxygen reduction reaction kinetics of cathodes and therefore the long-term stability of solid…”
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2-(N-Methylbenzyl)pyridine: A Potential Liquid Organic Hydrogen Carrier with Fast H 2 Release and Stable Activity in Consecutive Cycles by Oh, Jinho, Jeong, Kwanyong, Kim, Tae Wan, Kwon, Hyunguk, Han, Jeong Woo, Park, Ji Hoon, Suh, Young-Woong

“…The liquid organic hydrogen carrier (LOHC) 2-(N-methylbenzyl)pyridine (MBP) shows good potential for H storage based on reversible hydrogenation and…”
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Insights into excitons manipulation in metal chalcogenides based Nano-heterojunction Photocatalysts: A breakthrough in green hydrogen production by Rao, Vempuluru Navakoteswara, Ahn, Chi Won, Lee, Yonghee, Shankar, Muthukonda Venkatakrishnan, Kwon, Hyunguk, Kim, Kyeounghak, Rezakazemi, Mashallah, Kim, Sang-jae, Yang, Jun-Mo

“…The advent of nanoscience and technology has ushered in a realm of possibilities in photocatalysis research, offering transformative applications in energy and…”
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ReaxFF-based molecular dynamics study of bio-derived polycyclic alkanes as potential alternative jet fuels by Kwon, Hyunguk, Lele, Aditya, Zhu, Junqing, McEnally, Charles S., Pfefferle, Lisa D., Xuan, Yuan, van Duin, Adri C.T.

“…This work investigates the initial stages of the pyrolysis of HtH-1 (C18H32; 2,2,7,7,8a,8b-hexamethyl-dodecahydrobiphenylene) and HtH-2 (C18H34;…”
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