@article{nam_ryu_son_kim_kim_balch_nephew_lee_2014, title={Mg2+ effect on Argonaute and RNA duplex by molecular dynamics and bioinformatics implications}, volume={9}, number={10}, journal={PLoS One}, author={Nam, S. and Ryu, H. and Son, W. J. and Kim, Y. H. and Kim, K. T. and Balch, C. and Nephew, K. P. and Lee, J.}, year={2014} }
 @article{zhao_nellutla_son_vaughn_ye_smith_caignaert_lufaso_pekarek_smirnov_et al._2011, title={Ba4KFe3O9: A Novel Ferrite Containing Discrete 6-Membered Rings of Corner-Sharing FeO4 Tetrahedra}, volume={50}, ISSN={["1520-510X"]}, url={http://www.scopus.com/inward/record.url?eid=2-s2.0-80053934262&partnerID=MN8TOARS}, DOI={10.1021/ic201374g}, abstractNote={Single crystals of a new iron-containing oxide, Ba(4)KFe(3)O(9), were grown from a hydroxide melt, and the crystal structure was determined by single-crystal X-ray diffraction. This ferrite represents the first complex oxide containing isolated 6-membered rings of corner-sharing FeO(4) tetrahedra. Mössbauer measurements are indicative of two tetrahedral high-spin Fe(3+) coordination environments. The observed magnetic moment (~3.9 μ(B)) at 400 K is significantly lower than the calculated spin-only (~5.2 μ(B)) value, indicating the presence of strong antiferromagnetic interactions in the oxide. Our density functional theory calculations confirm the strong antiferromagnetic coupling between adjacent Fe(3+) sites within each 6-membered ring and estimate the nearest-neighbor spin-exchange integral as ~200 K; next-nearest-neighbor interactions are shown to be negligible. The lower than expected effective magnetic moment for Ba(4)KFe(3)O(9) calculated from χT data is explained as resulting from the occupation of lower-lying magnetic states in which more spins are paired. X-band (9.5 GHz) electron paramagnetic resonance (EPR) spectra of a powder sample consist of a single line at g ~ 2.01 that is characteristic of Fe(3+) ions in a tetrahedral environment, thus confirming the Mössbauer results. Further analysis of the EPR line shape reveals the presence of two types of Fe(6) magnetic species with an intensity ratio of ~1:9. Both species have Lorentzian line shapes and indistinguishable g factors but differ in their peak-to-peak line widths (δB(pp)). The line-width ratio δB(pp)(major)/δB(pp)(minor) ~ 3.6 correlates well with the ratio of the Weiss constants, θ(minor)/θ(major) ~ 4.}, number={20}, journal={INORGANIC CHEMISTRY}, publisher={American Chemical Society (ACS)}, author={Zhao, Qingbiao and Nellutla, Saritha and Son, Won-Joon and Vaughn, Shae A. and Ye, Longfei and Smith, Mark D. and Caignaert, Vincent and Lufaso, Michael and Pekarek, Thomas M. and Smirnov, Alex I. and et al.}, year={2011}, month={Oct}, pages={10310–10318} }
 @article{liu_son_lu_huang_dai_whangbo_2011, title={Composition Dependence of the Photocatalytic Activities of BiOCl1-xBrx Solid Solutions under Visible Light}, volume={17}, ISSN={["0947-6539"]}, DOI={10.1002/chem.201100952}, abstractNote={AbstractWe prepared BiOCl1−xBrx (x=0–1) solid solutions and characterized their structures, morphologies, and photocatalytic properties by X‐ray diffraction, diffuse reflectance spectroscopy, scanning electron microscopy, Raman spectroscopy, photocurrent and photocatalytic activity measurements and also by density functional theory calculations for BiOCl, BiOBr, BiOCl0.5Br0.5. Under visible‐light irradiation BiOCl1−xBrx exhibits a stronger photocatalytic activity than do BiOCl and BiOBr, with the activity reaching the maximum at x=0.5 and decreasing gradually as x is increased toward 1 or decreased toward 0. This trend is closely mimicked by the photogenerated current of BiOCl1−xBrx, indicating that the enhanced photocatalytic activity of BiOCl1−xBrx with respect to those of BiOCl and BiOBr originates from the trapping of photogenerated carriers. Our electronic structure calculations for BiOCl0.5Br0.5 with the anion (O2−, Cl−, Br−) and cation (Bi3+) vacancies suggest that the trapping of photogenerated carriers is caused most likely by Bi3+ cation vacancies, which generate hole states above the conduction band maximum.}, number={34}, journal={CHEMISTRY-A EUROPEAN JOURNAL}, author={Liu, Yuanyuan and Son, Won-Joon and Lu, Jibao and Huang, Baibiao and Dai, Ying and Whangbo, Myung-Hwan}, year={2011}, month={Aug}, pages={9342–9349} }
 @article{son_manuel_adroja_whangbo_2011, title={Density Functional Analysis of the Magnetic Structure of Li3RuO4: Importance of the Ru-O center dot center dot center dot O-Ru Spin-Exchange Interactions and Substitutional Ru Defects at the Li Sites}, volume={50}, ISSN={["1520-510X"]}, DOI={10.1021/ic201023j}, abstractNote={We evaluated the spin-exchange interactions of Li(3)RuO(4) by performing energy-mapping analysis based on density functional calculations and examined the nature of its magnetic transition at T(1) = 66 K and the divergence of the field-cooled and zero-field-cooled susceptibilities below T(2) = 32 K. Our study shows that T(1) is associated with a three-dimensional antiferromagnetic ordering, in which the two-dimensional antiferromagnetic lattices parallel to the ab plane are antiferromagnetically coupled along the c direction. We examined how the substitutional defects, Ru atoms residing in the Li sites, affect the antiferromagnetic coupling along the c direction to explain why the expected c-axis doubling is not detected from powder neutron diffraction measurements. The susceptibility divergence below T(2) is attributed to a slight spin canting out of the ab plane.}, number={19}, journal={INORGANIC CHEMISTRY}, author={Son, Won-Joon and Manuel, Pascal and Adroja, Devashibhai and Whangbo, Myung-Hwan}, year={2011}, month={Oct}, pages={9400–9405} }
 @article{manuel_adroja_lindgard_hillier_battle_son_whangbo_2011, title={Neutron scattering and mu SR investigations of quasi-one-dimensional magnetism in the spin=3/2 compound Li3RuO4}, volume={84}, ISSN={["2469-9969"]}, DOI={10.1103/physrevb.84.174430}, abstractNote={The $S$ = 3/2, quasi-one-dimensional (1D) zig-zag chain Heisenberg antiferromagnet Li${}_{3}$RuO${}_{4}$ has been investigated using heat capacity, inelastic neutron scattering, neutron diffraction, and \ensuremath{\mu}SR measurements on a powder sample. Our neutron diffraction and \ensuremath{\mu}SR studies confirm a long-range ordering of the magnetic moments on the Ru${}^{5+}$ cations below 40 K. The magnetic excitations were measured at various temperatures above and below the three-dimensional (3D) ordering temperature in order to understand the broad peak observed in the temperature dependence of the magnetic susceptibility. At 5 K we have observed two well-defined magnetic excitations at 5.5 meV and 8.5 meV and a weak low-energy peak near \ensuremath{\sim}2 meV. We interpret the 5.5 meV energy peak as a 1D zone-boundary mode and that at 8.5 meV as arising from a maximum away from the zone boundary in the dispersion curve for spin-wave modes along the chain of Ru${}^{5+}$ ions. The weaker peak near 2 meV is thought to arise from a weak interchain coupling. Our data are best reproduced using a model with three intrachain interactions and one weak interchain interaction. The experimental spin-exchange interactions are in good agreement with those calculated for a 1D model by density functional theory (DFT) methods. Furthermore, above ${T}_{N}$ we observe strong diffuse scattering at the same $Q$-position as the 5.5 meV mode, which suggests the presence of short-range magnetic correlations above ${T}_{N}$. We have estimated the correlation length \ensuremath{\xi} \ensuremath{\sim} 2.9 \AA{} at 50 K, which is close to 2.99 \AA{}, the shortest distance between the Ru${}^{5+}$ cations along the zig-zag chain.}, number={17}, journal={PHYSICAL REVIEW B}, author={Manuel, P. and Adroja, D. T. and Lindgard, Per-Anker and Hillier, A. D. and Battle, P. D. and Son, Won-Joon and Whangbo, Myung-Hwan}, year={2011}, month={Nov} }
 @article{ben yahia_gaudin_boulahya_darriet_son_whangbo_2010, title={Synthesis and Characterization of the Crystal Structure and Magnetic Properties of the Ternary Manganese Vanadate NaMnVO4}, volume={49}, ISSN={["1520-510X"]}, DOI={10.1021/ic101180h}, abstractNote={A new ternary manganese vanadate, NaMnVO(4), was synthesized by solid state reaction route, and its crystal structure and magnetic properties were characterized by X-ray diffraction, magnetic susceptibility and specific heat measurements, and by density functional calculations. NaMnVO(4) crystallizes in the maricite-type structure with space group Pnma, a = 9.563(1) A, b = 6.882(1) A, c = 5.316(1) A, and Z = 4. NaMnVO(4) contains MnO(4) chains made up of edge-sharing MnO(6) octahedra, and these chains are interlinked by VO(4) tetrahedra. The magnetic susceptibility has a broad maximum at T(max) = 24 K and follows the Curie-Weiss behavior above 70 K with θ = -62 K. NaMnVO(4) undergoes a three-dimensional antiferromagnetic ordering at T(N) = 11.8 K. The spin exchanges of NaMnVO(4) are dominated by the intrachain antiferromagnetic exchange, and the interchain spin exchanges are spin-frustrated. The most probable magnetic structure of the ordered magnetic state below T(N) was predicted on the basis of the extracted spin exchanges.}, number={18}, journal={INORGANIC CHEMISTRY}, author={Ben Yahia, Hamdi and Gaudin, Etienne and Boulahya, Khalid and Darriet, Jacques and Son, Won-Joon and Whangbo, Myung-Hwan}, year={2010}, month={Sep}, pages={8578–8582} }