@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={Abstract}, 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} }