Kim Il-sung University

A little addition of Cl to \ce{MAPbI3} has been reported to improve the material stability as well as light harvesting and carrier conducting properties of organometal trihalide pe…

cond-mat.mtrl-sci2016★ 19 cited

Ionic Diffusion and Electronic Transport in Eldfellite Na $_{x}$ Fe(SO $_{4}$ ) $_{2}$

Chol-Jun Yu, Song-Hyok Choe, Gum-Chol Ri +3

Discovering new electrodes for sodium-ion battery requires clear understanding of the material process during battery operation. Using first-principles calculations, we identify me…

cond-mat.mtrl-sci2016★ 36 cited

Ab initio thermodynamic study of SnO $_{2}$ (110) surface in an O $_{2}$ and NO environment: a fundamental understanding of gas sensing mechanism for NO and NO $_{2}$

Chol-Jun Yu, Yun-Hyok Kye, Song-Nam Hong +5

For the purpose of elucidating the gas sensing mechanism of SnO $_{2}$ for NO and NO $_{2}$ gases, we calculate the phase diagram of SnO $_{2}$ (110) surface in contact with an O $_{2}$ and NO…

cond-mat.mtrl-sci2016★ 214 cited

Influence of halide composition on the structural, electronic, and optical properties of mixed CH $_{3}$ NH $_{3}$ Pb(I $_{1 - x}$ Br $_{x}$ ) $_{3}$ perovskites calculated using the virtual crystal approximation method

Un-Gi Jong, Chol-Jun Yu, Nam-Hyok Kim +1

We investigate the structural, electronic and optical properties of mixed bromide-iodide lead perovskite solar cell CH $_{3}$ NH $_{3}$ Pb(I $_{1 - x}$ Br $_{x}$ ) $_{3}$ by means of the virtual crys…

cond-mat.mtrl-sci2016★ 10 cited

First-principles study of organically modified muscovite mica with ammonium (NH $_{4}^{+}$ ) or methylammonium (CH $_{3}$ NH $_{3}^{+}$ ) ion

Chol-Jun Yu, Song-Hyok Choe, Yong-Man Jang +2

Using density functional theory calculations, we have investigated the interlayer cation exchange phenomena in muscovite mica, which is motivated by a necessity to develop flexible…

cond-mat.mtrl-sci2016★ 24 cited

First-principles study of ferroelectricity induced by p-d hybridization in ferrimagnetic NiFe2O4

Un-Gi Jong, Chol-Jun Yu, Yong-Su Park +1

We investigate the ferrimagnetism and ferroelectricity of bulk NiFe $_{2}$ O $_{4}$ with tetragonal $P 4_{1} 22$ ~symmetry by means of density functional calculations using generalized gradie…

Revealing the stability and efficiency enhancement in mixed halide perovskites MAPb(I1−x​Clx​)3​ with ab initio calculations

Ionic Diffusion and Electronic Transport in Eldfellite Nax​Fe(SO4​)2​

Ab initio thermodynamic study of SnO2​(110) surface in an O2​ and NO environment: a fundamental understanding of gas sensing mechanism for NO and NO2​

Influence of halide composition on the structural, electronic, and optical properties of mixed CH3​NH3​Pb(I1−x​Brx​)3​ perovskites calculated using the virtual crystal approximation method

First-principles study of organically modified muscovite mica with ammonium (NH4+​) or methylammonium (CH3​NH3+​) ion

First-principles study of ferroelectricity induced by p-d hybridization in ferrimagnetic NiFe2O4

Revealing the stability and efficiency enhancement in mixed halide perovskites MAPb(I $_{1 - x}$ Cl $_{x}$ ) $_{3}$ with ab initio calculations

Ionic Diffusion and Electronic Transport in Eldfellite Na $_{x}$ Fe(SO $_{4}$ ) $_{2}$

Ab initio thermodynamic study of SnO $_{2}$ (110) surface in an O $_{2}$ and NO environment: a fundamental understanding of gas sensing mechanism for NO and NO $_{2}$

Influence of halide composition on the structural, electronic, and optical properties of mixed CH $_{3}$ NH $_{3}$ Pb(I $_{1 - x}$ Br $_{x}$ ) $_{3}$ perovskites calculated using the virtual crystal approximation method

First-principles study of organically modified muscovite mica with ammonium (NH $_{4}^{+}$ ) or methylammonium (CH $_{3}$ NH $_{3}^{+}$ ) ion