77 citations · 139 across the 7 of their papers we have counts for
7 papers
Influence of solvent polarization and non-uniform ionic size on electrokinetic transport in a nanochannel
Jun-Sik Sin, Nam-Hyok Kim, Chol-Ho Kim +1
In this paper, we study the electroosmotic transport in a nanofluidic channel by using a mean-field theory accounting for non-uniform size effect and solvent polarization effect. W…
Steric effect of water molecule clusters on electrostatic interaction and electroosmotic transport in aqueous electrolytes: a mean-field approach
Jun-Sik Sin, Yong-Man Jang, Chol-Ho Kim +1
We theoretically study the size effect of water molecule clusters not only on electrostatic interaction between two charged surfaces in an aqueous electrolyte but also on electroos…
Ab initio design of drug carriers for zoledronate guest molecule using phosphonated and sulfonated calix[4]arene and calix[4]resorcinarene host molecules
Yong-Man Jang, Chol-Jun Yu, Jin-Song Kim +1
Monomolecular drug carriers based on calix[n]-arenes and -resorcinarenes containing the interior cavity can enhance the affinity and specificity of the osteoporosis inhibitor drug…
Revealing the stability and efficiency enhancement in mixed halide perovskites MAPb(ICl) with ab initio calculations
Un-Gi Jong, Chol-Jun Yu, Yong-Man Jang +3
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…
Ab initio Investigation of Adsorption Characteristics of Bisphosphonates on Hydroxyapatite (001) Surface
Mun-Hyok Ri, Yong-Man Jang, Chol-Jun Yu +1
The structures of some bisphosphonates (clodronate, etidronate, pamidronate, alendronate, risedronate, zoledronate, minodronate) were obtained and analyzed, and their adsorption en…
First-principles study of organically modified muscovite mica with ammonium (NH) or methylammonium (CHNH) 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…
Ab initio investigation of the adsorption of zoledronic acid molecule on hydroxyapatite (001) surface: an atomistic insight of bone protection
Mun-Hyok Ri, Chol-Jun Yu, Yong-Man Jang +1
We report a computational study of the adsorption of zoledronic acid molecule on hydroxyapatite (001) surface within ab initio density functional theory. The systematic study has b…