126 citations · 282 across the 14 of their papers we have counts for
14 papers
Ab Initio Thermodynamic Study of PbI and CHNHPbI Surfaces in Reaction with CHNH Gas for Perovskite Solar Cells
Yun-Sim Kim, Chol-Hyok Ri, Yun-Hyok Kye +2
Hybrid organic-inorganic halide perovskites for photovoltaics have attracted research interest due to their unique material properties, but suffered from poor material stability. I…
Manifestation of the thermoelectric properties in Ge-based halide perovskites
Un-Gi Jong, Chol-Jun Yu, Yun-Hyok Kye +2
In spite of intensive studies on the chalcogenides as conventional thermoelectrics, it remains a challenge to find a proper material with high electrical but low thermal conductivi…
First-principles study on luminescence properties of Eu-doped defect pyrochlore oxide KNbWOHO:Eu
Song-Hyok Choe, Chol-Jun Yu, Myong Choe +3
Defect pyrochlore oxides have attracted a great interest as promising luminescent materials due to their flexible composition and high electron/hole mobility. In this work, we inve…
First-Principles Study on Material Properties and Stability of Inorganic Halide Perovskite Solid Solutions CsPb(IBr) towards High Performance Perovskite Solar Cells
Chol-Jun Yu, Un-Hyok Ko, Suk-Gyong Hwang +4
All-inorganic halide perovskites have attracted a great interest as a promising light harvester of perovskite solar cells due to their enhanced chemical stability. In this work we…
Computational Prediction of Structural, Electronic, Optical Properties and Phase Stability of Double Perovskites K2SnX6 (X = I, Br, Cl)
Un-Gi Jong, Chol-Jun Yu, Yun-Hyok Kye
Vacancy-ordered double perovskites K2SnX6 (X = I, Br, Cl) attract significant research interest due to their potential application as light-absorbing materials in perovskite solar…
Defect physics in -doped from first-principles calculation
Yun-Hyok Kye, Chol-Jun Yu, Un-Gi Jong +2
Calcium fluoride has been widely used for light up-/down-conversion luminescence by accommodating lanthanide ions as sensitizers or activators. Especially, Yb-doped \ce{CaF2} exhib…
Interface Engineering in Hybrid Iodide CH3NH3PbI3 Perovskite Using Lewis Base and Graphene towards High Performance Solar Cells
Chol-Jun Yu, Yun-Hyok Kye, Un-Gi Jong +6
Perovskite solar cells have achieved a substantial breakthrough via advanced interface engineerings. Reports have emphasized that combining the hybrid perovskites with Lewis base a…
First-Principles Study on NaxTiO2 with Trigonal Bipyramid Structures: An Insight into Sodium-Ion Battery Anode Application
Song-Hyok Choe, Chol-Jun Yu, Kum-Chol Ri +4
Developing efficient anode materials with low electrode voltage, high specific capacity and superior rate capability is urgently required on the road to commercially viable sodium-…
Structural and optoelectronic properties of the inorganic perovskites AGeX3 (A = Cs, Rb; X = I, Br, Cl) for solar cell application
Un-Gi Jonga, Chol-Jun Yu, Yun-Hyok Kye +3
We predict the structural, electronic and optic properties of the inorganic Ge-based halide perovskites AGeX3 (A = Cs, Rb; X = I, Br, Cl) by using first-principles method. In parti…
First-principles study on the chemical decomposition of inorganic perovskites \ce{CsPbI3} and \ce{RbPbI3} at finite temperature and pressure
Un-Gi Jong, Chol-Jun Yu, Yun-Hyok Kye +3
Inorganic halide perovskite \ce{Cs(Rb)PbI3} has attracted significant research interest in the application of light-absorbing material of perovskite solar cells (PSCs). Although th…
First-principles study on the electronic and optical properties of inorganic perovskite Rb1-xCsxPbI3 for solar cell applications
Un-Gi Jong, Chol-Jun Yu, Yun-Sim Kim +2
Recently, replacing or mixing organic molecules in the hybrid halide perovskites with the inorganic Cs or Rb cations has been reported to increase the material stability with the c…
Critical role of water in defect aggregation and chemical degradation of perovskite solar cells
Yun-Hyok Kye, Chol-Jun Yu, Un-Gi Jong +2
The chemical stability of methylammonium lead iodide (\ce{MAPbI3}) under humid conditions remains the primary challenge facing halide perovskite solar cells. We investigate defect…
Ab initio study of sodium cointercalation with diglyme molecule into graphite
Chol-Jun Yu, Song-Bok Ri, Song-Hyok Choe +3
The cointercalation of sodium with the solvent organic molecule into graphite can resolve difficulty of forming the stage-I Na-graphite intercalation compound, which is a predomina…
Ab initio thermodynamic study of SnO(110) surface in an O and NO environment: a fundamental understanding of gas sensing mechanism for NO and NO
Chol-Jun Yu, Yun-Hyok Kye, Song-Nam Hong +5
For the purpose of elucidating the gas sensing mechanism of SnO for NO and NO gases, we calculate the phase diagram of SnO(110) surface in contact with an O and NO…