Selected publications

Gerica J. P. C. and Kwon K.D. (2026) Applications of atomistic free energy calculations in clay mineral-fluid interface research: a mini reviw, Korean J. Miner. Petro. 39, 41-57.

Moon I-.H., Park Y-.R., Kwon K. D. (2025) Zircon U-Pb age and geochemistry of the Chuncheon granite in the north central Gyeonggi massif, Korea. J. Geol. Soc. Korea 61, 117-133. 

Ren C., Li Y., Wang S., Wang J., Ji J., Teng H.H., Phillips B.L., Kwon K.D., and Li W. (2025) Coprecipitation of phosphate with calcite: Molecular-scale evidence for incorporation and inclusion mechanisms. Geochimica et Cosmochimica Acta 399, 1-17.

Yin H., Yan X., Zhu C., Kwon K. D., Gu X., Zhao W., Lanson B., Li W., Ma J., Li Y., Li J., Qiu G., Feng X., Tan W., Wen H., Huang Q. and Liu F. (2024) Cadmium isotope fractionation  during adsorption onto edge sites and vacancies in phyllomanganate. Environmental Science & Technology 58, 13498-13508.

Lee H. Jo K.-N., Baek S., Kwon K.D., Son S., Lee H.S., Gang N.-G., Kim Y. (2024) Occurrence characteristics of authigenic pyrite in the deep-sea environment and its paleoceanographic implications based on core sediments from IODP Expedition 342 Site U1406 , Palaeogeography Palaeoclimatology Palaeoecology 655, 112535.   

Moon I-.H., Park Y-.R., Kwon K. D. (2024) Zircon U-Pb age and geochemical studies on the petrogenesis of the Chugongnyeong pluton of the Hwacheon granite. J. Geol. Soc. Korea 60, 143-156. 

Kim S., Son S., and Kwon K.D (2024) First-principles calculations of K-edge absorption spectra of Ca-bearing minerals, Korean J. Miner. Petro. 37. 41-50.

Wang Z., Peacock C, Kwon K.D., Gu X., Feng X., Li W. (2023) Site-specific isotope fractionation during Zn adsorption onto birnessite: Insights from X-ray absorption spectroscopy, density functional theory and surface complexation modeling, Geochimica et Cosmochimica Acta 348, 68-84.

Kim J. and Kwon K.D (2023) Nanoconfinement of hydrogen and carbon dioxide in palygorskite, Korean J. Miner. Petro. 36. 221-231.

Myeong H., Kim J.H., Lee J.-Y., and Kwon K.D. (2023) Kinetics of polystyrene nanoplastic deposition on SiO2 and Al2O3 surfaces: Ionic strength effects, Science Progress 106, 1-14. 

Son S., Hyun S.P., Charlet L., and Kwon K.D. (2022) Thermodynamic stability reversal of iron sulfides at the nanoscale: Insights into the iron sulfide formation in low-temperature aqueous solution, Geochimica et Cosmochimica Acta 338, 220-228.

Kim J. and Kwon K.D. (2022) Tunnel cation and water structures of todorokite: Insights into metal partitioning and isotopic fractionation, Geochimica et Cosmochimica Acta 333, 153-165. 

Kim H., Kim J., Hyun S. P., and Kwon K.D. (2022) Toward a mechanistic understanding of cesium adsorption to todorokite: a molecular dynamics simulation study, Journal of Hazardous Materials 436, 129250.

Wang Z., Kwon K.D., Peacock C., Mo X. Gou W., Feng X. and Li W. (2022) Zn stable isotope fractionation during adsorption onto todorokite: A molecular perspective from X-ray absorption spectroscopy and density functional theory, Geochimica et Cosmochimica Acta, 327, 116-136.

Han S. and Kwon K.D. (2022) Interlayer water structure of phyllomanganates: Insights from MD simulations of chalcophanite-group oxide dehydration, Geochimica et Cosmochimica Acta 318, 495-509.

Cho S., Kwon K.D. and Hyun S. P. (2022) Cesium sorption to granite in an anoxic environment, Korean J. Miner. Petro. 35. 101-109.

Myeong H., Kim J., Lee J.-Y. and Kwon K.D. (2021), Research possibility of using Quartz Crystal Microbalance for polystyrene nanoplastics adsorption to SiO2 surface, Korean J. Miner. Petro. 34. 265-275.

Park S. and Kwon K.D. (2021) Atomistic insights into the interlayer cation and water structures of Na-, K-, and Cs-birnessite, ACS Earth and Space Chemistry 5, 3159–3169.

Yi Y.S., Han Y., Kwon K.D., Lee S.K., and Hur S.D. (2021) Molecular mechanism of gas diffusion in ice-Ih, ACS Earth and Space Chemistry 5, 3258–3267.

Hyun S.P., Kim B., Son S.-B., Kwon K.D., Kim E., and Hayes K.F. (2021) Cadmium(II) removal by mackinawite under anoxic conditions, ACS Earth and Space Chemistry 5, 1306-1315.

Kim J., Myeong H., Son S.-B., and Kwon K.D. (2020) Application of quartz crystal microbalance to understanding the transport of microplastics in soil and groundwater, Korean J. Miner. Petro. 33. 463.

Son S.-B. and Kwon K.D. (2021) Ab-initio calculations of Mg silicate and (hydr)oxide core-level absorption spectra, Korean J. Miner. Petro. 34. 121-131.

Son S.-B., Li W., Lee J.-Y., Kwon K.D. (2020) On the coordination of Mg2+  in aragonite: Ab-initio absorption spectroscopy and isotope fractionation study, Geochimica et Cosmochimica Acta 286, 324-335.

Newton A.G. and Kwon K.D. (2020) Classical mechanical simulations of layer- and tunnel-structured manganese oxide minerals,  Geochimica et Cosmochimica Acta 291, 92-109.

Park S. and Kwon K.D. (2020) A Molecular dynamics simulation study of Na- and K-birnessite interlayer structures, Korean J. Miner. Petro. 33, 143-152.  

Han S. and Kwon K.D. (2020) A molecular dynamics simulation study of ranciéite-takanelite solid solution crystal structures, Korean J. Miner. Petro. 33. 19-28. 

Son S.-B, Newton A.G., Jo K.-N., Lee J.-Y., and Kwon K.D.  (2019) Manganese speciation in Mn-rich CaCO3:  a density functional theory study, Geochimica et Cosmochimica Acta  248, 231-241.

Jiang Y., Kwon K.D., Wang S., Ren C., and Li W. (2019) Molecular speciation of phosphorus in phosphogypsum waste by solid-state nuclear magnetic resonance spectroscopy, Science of the Total Environment 696, 133958.

Kim J., Lee J.-Y., and Kwon K.D. (2019) A Classical Molecular Dynamics Study of the Mg2+ Coordination in Todorokite,  J. Miner. Soc. Korea 31, 151-162.

Newton A.G. and Kwon K.D. (2018) Molecular simulations of hydrated phyllomanganates, Geochimica et Cosmochimica Acta  235, 208-223.

Kim J., Son  S. and Kwon K.D. (2018) A computational mineralogy study of the structure and stability of aluminum silicate (Al2SiO5) minerals, J. Miner. Soc. Korea 31, 209-220.

Feng X., Wang P., Shi Z., Kwon K. D., Zhao H., Yin H., Lin Z., Zhu M., Liang X., Liu F. and Sparks D. L. (2018) A Quantitative Model for the Coupled Kinetics of Arsenic Adsorption/Desorption and Oxidation on Manganese Oxides, Environmental Science and Technology Letters 5, 175-180. 

Lee J., Lee J.-Y., and Kwon K.D. (2017) A molecular dynamics simulation study of Trioctahedral Clay Minerals, J. Miner. Soc. Korea 30, 161-172.

Lee J.-Y., Kwon K.D., Park Y. C., and Jeon W.-H. (2017) Unexpected nationwide nitrate declines in groundwater of Korea, Hydrological Processes,  Hydrological Processes 31, 4693. 

Li W., Kwon K.D., Li S., and Beard B.L. (2017) Potassium isotope fractionation between K-salts and saturated aqueous solutions at room temperature: laboratory experiments and theoretical calculations, Geochimica et Cosmochimica Acta 214, 1. 

Yin H., Kwon K.D., Lee J.-Y., Shen Y., Zhao H., Wang X., Liu F., Zhang J. and Feng X. (2017) Distinct effects of Al3+ doping on the structure and properties of hexagonal turbostratic birnessite: A comparison with Fe3+doping, Geochimica et Cosmochimica Acta 208, 268.  

Newton A.G., Lee J.-Y. and Kwon K.D. (2017) Na-Montmorillonite Edge Structure and Surface Complexes: An Atomistic Perspective, Minerals 7, 78.

Kwon K.D. and Sposito G. (2017) Dirac's dream: Understanding metal sorption by geomedia using density functional theory, Chemical Geology, 464, 4.

Son  S. and Kwon K.D. (2016) A molecular dynamics simulation study of hydroxyls in dioctahedral phyllosilicates, J. Miner. Soc. Korea 29, 209-220.

Kwon K.D. and Newton A.G. (2016) Structure and stability of pyrophyllite edge surfaces: Effect of temperature and water chemical potential,  Geochimica et Cosmochimica Acta 190, 100-114.  

Newton A.G., Kwon K.D., and Cheong D.K. (2016) Edge structure of montmorillonite from atomistic simulations, Minerals 6, 25.

Lee J. Y. and Kwon K.D. (2016) Current status of groundwater monitoring networks in Korea, Water 8, 168.

Mahmood Q., Park S.K., Kwon K.D., Chang S-.J., Hong J-.Y., Shen G., Jung Y.M., Park T.J., Khang S.W., Kim W.S., Kong J., and Park H.S. (2016) Transition from diffusion-controlled intercalation into extrinsically pseudocapacitive charge storage of MoS2 by nanoscale heterostructuring, Advanced Energy Materials, 1501115.

Kwon K.D. and Sposito G. (2015) Mechanistic understanding of metal sorption by phyllomanganates through density functional theory. Advances in the Environmental Biogeochemistry of Manganese Oxides, American Chemical Society, 51-64.  

Chae  J.-U. and Kwon K.D. (2015) Effects of Fe substitution on lithium incorporation into  muscovite, J. Miner. Soc. Korea, 28, 127-133.

Kwon K.D., Refson K. and Sposito G. (2015) Transition metal incorporation into mackinawite (tetragonal FeS), American Mineralogist  100, 1509-1517.

Xu Y., Kim Y.K., Kang S.O., Hong J.Y., Jung Y.M., Kwon K.D., Kong J. and Park H.S. (2015) Elucidating surface redox charge storage of phosphorus-incorporated graphenes with hierarchical architectures, Nano Energy 15, 576-586. 

Simanova A.A., Kwon K.D., Bone S.E., Bargar J.R., Refson K., Sposito G., Peña J. (2015) Probing the sorption reactivity of the edge surfaces in birnessite nanoparticles using nickel(II), Geochimica et Cosmochimica Acta 164, 191-204.

Chae  J.-U. and Kwon K.D. (2014) Application of computational mineralogy to studies of hydroxyls in clay minerals, J. Miner. Soc. Korea 27, 271-281.

Pierce E. Frugier P., Criscenti L., Kwon K.D., and Kersit S. (2014) Modeling interfacial glass-water reactions: Recent advances and current limitations, International Journal of Applied Glass Science 5, 421-435.

Zapol P., He H., Kwon K.D. andCriscenti L.J. (2013) First-principles study of hydrolysis reaction barriers in a sodium borosilicate glass, International Journal of Applied Glass Science 4, 395–407.   

Kwon K.D. and Criscenti L.J. (2013) Na borosilicate glass structures: A classical molecular dynamics simulations study, J. Miner. Soc. Korea  26,  119-127.   

Li W., Pierre-Louis A., Kwon K.D., Kubicki J.D., Strongin D.R. and Phillips B.L. (2013) Molecular level investigations of phosphate sorption on corundum(α-Al2O3) by 31P solid state NMR, ATR-FTIR and quantum chemical calculation, Geochimica et Cosmochimica Acta 107, 252-266.

Hou Y., Fang X., Kwon K.D., Criscenti L.J., Davis D., Lambert T. and Nyman M. (2013) Computational and experimental characterization of a cagelike Fe15 polycation, European Journal of Inorganic Chemistry 1780-1787.

Kwon, K.D., Refson, K. and Sposito, G. (2013) Understanding the trends in transition metal sorption by vacancy sites in birnessite, Geochimica et Cosmochimica Acta 101, 222-232. 

Kwon K.D., Refson K., Bone S., Qiao R., Yang W., Liu Z. and Sposito G. (2011) Magnetic ordering in mackinawite (tetragonal FeS): evidence for strong itinerant spin fluctuations, Physical Review B 83, 064402.

Kwon K.D., Refson K. and Sposito G. (2010) Surface complexation of Pb(II) by hexagonal birnessite nanoparticles, Geochimica et Cosmochimica Acta 74, 6731-6740.

Kwon K.D. and Sposito G. (2010) Reactivity of biogenic manganese oxide for metal sequestration and photochemistry: computational solid state physics study, J. Miner. Soc. Korea  23, 161-170.

Peña J., Kwon K.D., Refson K., Bargar J.R. and Sposito G. (2010) Mechanisms of nickel sorption by a bacteriogenic birnessite, Geochimica et Cosmochimica Acta 74, 3076-3089.

Li W.I, Feng J., Kwon K.D., Kubicki J.D. and Phillips B.L. (2010) Surface speciation of phosphate on boehmite( gamma-AlOOH) determined from NMR spectroscopy, Langmuir 26, 4753-4761.

Kwon K.D., Refson K. and Sposito G. (2009) On the role of Mn(IV) vacancies in the photoreductive dissolution of birnessite, Geochimica et Cosmochimica Acta 73, 4142-4150.

Kwon K.D., Refson K. and Sposito G. (2009) Zinc surface complexes on birnessite: A density functional theory study, Geochimica et Cosmochimica Acta 73, 1273-1284.

Kwon K.D., Refson K. and Sposito G. (2008) Defect-induced photoconductivity in layered manganese oxides: A density functional theory study, Physical Review Letters 100, 146601.

Kubicki J.D., Kwon K.D., Paul, K.W. and Sparks D.L. (2007) Surface complex structures model with ab initio calculations: Carbonate, phosphate, arsenate, and sulfate, European Journal of Soil Science 58, 932-944.

Kwon K.D., Green H., Bjöörn P. and  Kubicki J.D. (2006) Model bacterial extracellular polysaccharide adsorption onto silica and alumina: Quartz crystal microbalance with dissipation (QCM-D) monitoring of dextran adsorption, Environmental Science & Technology 40, 7739-7744.

Fry R.A., Kwon K.D., Komarneni S., Kubicki J.D. and Mueller K.T. (2006) A solid-state NMR and computational chemistry study of mononucleotides adsorbed to alumina, Langmuir 22, 9281-9286.

Kwon K.D., Vadillo-Rodriguez V., Logan B.E. and Kubicki J.D. (2006) Interactions of biopolymers with silica surfaces: Force measurements and electronic structure calculation studies, Geochimica et Cosmochimica Acta 70, 3803-3819.

Tribe L., Kwon K.D., Trout C.T. and Kubicki J.D. (2006) Molecular orbital theory on surface complex strucutres of glyphosate on goethite: Calculation of vibrational frequencies, Environmental Science & Technology 40, 3836-3841.

Omoike A., Chorover J., Kwon K.D. and Kubicki J.D. (2004) Adhesion of bacterial exopolymers to α-FeOOH: Inner-sphere complexation of phosphodiester groups, Langmuir 20, 11108-11114.

Kwon K.D. and Kubicki J.D. (2004) Molecular orbital theory study on complexation structures of phosphates to iron hydroxides: Calculation of vibrational frequencies and adsorption energies, Langmuir 20, 9249-9254.

Chang S.J., Kim S.J. and Kwon K. (2004) Effects of some water repellents on the structure  and water sorption of smectite, Clays and clay minerals 52, 25-30. 

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