Publications by authors named "Chol-Jun Yu"

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First-principles study of the electrochemical properties of NaFeCl for cathode applications in sodium-ion batteries.
Suk-Gyong Hwang, Tae-Il Ri, Ryo-Gyong Choe, Chung-Hyok Rim, Chol-Jun Yu

RSC Adv· December 2025

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First-principles study on enhancing the photocatalytic hydrogen evolution performance in CsBiI/MoS heterostructure with interfacial defect engineering.
Kyong-Mi Kim, Yun-Sim Kim, Dok-Ho Hyon, Chol-Hyok Ri, Chol-Jun Yu

RSC Adv· September 2025

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Exploring the role of MgO nanoparticles in the mechanical properties of the MgO/PE composite: a tight-binding and molecular dynamics simulation study.
Chol Ryu, Song-Mu Kim, Il-Ung Kim, Jun-Gi Ri, Chol-Jun Yu

RSC Adv· June 2025

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Revealing the flame retardancy of cotton fabrics treated with ammonium ethylenediamine tetramethylenephosphonate and trimethylol melamine.
Yong-Man Jang, Chol-Jin Kim, Ju-Yong Kim, Dae-Hyok Mun, Chol-Jun Yu

RSC Adv· April 2025

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A first-principles study of interfacial vacancies in the β-CsPbI/1T-MoS heterostructure towards photocatalytic applications.
Chol-Hyok Ri, Se-Hun Pak, Song-Ii O, Chol-Su Jang, Yu-Song Kim, Chol-Jun Yu

Phys Chem Chem Phys· March 2025

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Revealing the catalytic oxidation mechanism of CO on α-FeO surfaces: an thermodynamic study.
Yun-Hyok Song, Yun-Hyok Kye, Myong-Il Pang, Yong-Min Ho, Hyon-Chol Choe, Chol-Jun Yu

Phys Chem Chem Phys· February 2025

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Revealing the role of intrinsic point defects in the stability of halide double perovskite CsAgBiBr.
Il-Chol Ri, Chun-Son Ri, Song-Hyon Yu, Son-Hyok Jo, Song-Hyok Choe, Chol-Jun Yu

Chem Commun (Camb)· February 2025

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Atomistic insight into the promising thermoelectric performance of the copper-based ternary phosphide CaCuP.
Un-Gi Jong, Chol Ryu, Ji-Min Hwang, Su-Hyang Kim, Il-Gwang Ju, Chol-Jun Yu

Chem Commun (Camb)· November 2024

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Interfacial properties of a ZnO/PTFE composite from density functional tight-binding simulations.
Chol Ryu, Jun-Gi Ri, Yun-Sim Kim, Chung-Hyok Rim, Chung-Il Kim, Chol-Jun Yu

RSC Adv· October 2024

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First-principles study of molecular hydrogen binding to heme in competition with O, NO and CO.
Yun-Kyong Ri, Song-Ae Kim, Yun-Hyok Kye, Yu-Chol Jong, Myong-Su Kang, Chol-Jun Yu

RSC Adv· May 2024

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First-principles study of mercaptoundecanoic acid molecule adsorption and gas molecule penetration onto silver surface: an insight for corrosion protection.
Chung-Hyok Kim, Chol Ryu, Yong-Hak Ro, Song-Il O, Chol-Jun Yu

RSC Adv· October 2023

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First-principles study on structural, electronic and optical properties of halide double perovskite CsAgBX (B = In, Sb; X = F, Cl, Br, I).
Chol-Jun Yu, Il-Chol Ri, Hak-Myong Ri, Jong-Hyok Jang, Yun-Sim Kim

RSC Adv· May 2023

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Revealing the effect of Nb or V doping on anode performance in NaTiO for sodium-ion batteries: a first-principles study.
Suk-Gyong Hwang, Chung-Hyok Kim, Song-Hyok Choe, Kum-Chol Ri, Chol-Jun Yu

RSC Adv· May 2023

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Insight into the structural and electrochemical properties of the interface between a NaSOI solid electrolyte and a metallic Na anode.
Song-Hyok Choe, Won-Hyok Hong, Kum-Chol Kim, Chol-Jun Yu

Phys Chem Chem Phys· March 2023

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First-principles study of sodium adsorption on defective graphene under propylene carbonate electrolyte conditions.
Chol Ryu, Song-Bom Rim, Yong Kang, Chol-Jun Yu

RSC Adv· February 2023

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Defect formation and ambivalent effects on electrochemical performance in layered sodium titanate NaTiO.
Yong-Chol Pak, Chung-Hyok Rim, Suk-Gyong Hwang, Kum-Chol Ri, Chol-Jun Yu

Phys Chem Chem Phys· January 2023

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Antioxidation activity of molecular hydrogen via protoheme catalysis in vivo: an insight from ab initio calculations.
Song-Ae Kim, Yu-Chol Jong, Myong-Su Kang, Chol-Jun Yu

J Mol Model· September 2022

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Point defects and their impact on electrochemical performance in NaMnO for sodium-ion battery cathode application.
Chung-Hyok Rim, Chol-Hun Jang, Kwang-Han Kim, Chol Ryu, Chol-Jun Yu

Phys Chem Chem Phys· September 2022

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High thermoelectric performance in metal phosphides MP (M = Co, Rh and Ir): a theoretical prediction from first-principles calculations.
Chung-Jin Kang, Un-Gi Jong, Yun-Hyok Kye, Chol-Jun Yu

RSC Adv· August 2022

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Improving the stability of hybrid perovskite FAPbI by forming 3D/2D interfaces with organic spacers.
Yun-Sim Kim, Chol-Hyok Ri, Yun-Hyok Kye, Un-Gi Jong, Chol-Jun Yu

Chem Commun (Camb)· July 2022

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Enhancing the Photocatalytic Hydrogen Evolution Performance of the CsPbI/MoS Heterostructure with Interfacial Defect Engineering.
Chol-Hyok Ri, Hyon-U Han, Yun-Sim Kim, Un-Gi Jong, Yun-Hyok Kye, Chol-Jun Yu

J Phys Chem Lett· May 2022

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First-principles study on structural, electronic, magnetic and thermodynamic properties of lithium ferrite LiFeO.
Su-Yong Kim, Kwang-Su Kim, Un-Gi Jong, Chung-Jin Kang, Song-Chol Ri, Chol-Jun Yu

RSC Adv· May 2022

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First-principles study on the elastic, electronic and optical properties of all-inorganic halide perovskite solid solutions of CsPb(Br Cl ) within the virtual crystal approximation.
Un-Hyok Ko, Jun-Hyok Ri, Jong-Hyok Jang, Chol-Hyok Ri, Un-Gi Jong, Chol-Jun Yu

RSC Adv· March 2022

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Effect of vacancy concentration on the lattice thermal conductivity of CHNHPbI: a molecular dynamics study.
Song-Nam Hong, Chol-Jun Yu, Un-Gi Jong, Song-Hyok Choe, Yun-Hyok Kye

RSC Adv· October 2021

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First-principles study on structural, electronic and optical properties of perovskite solid solutions KB Mg I (B = Ge, Sn) toward water splitting photocatalysis.
Chol-Hyok Ri, Yun-Sim Kim, Un-Gi Jong, Yun-Hyok Kye, Se-Hun Ryang, Chol-Jun Yu

RSC Adv· July 2021

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