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Wygant, B.R., Rademacher, D.X., Leung, K., Ilgen, A.G., & Song, B. (2024). Water-based process for preparation, separation, and recycling of LiCoO2 from Li-ion battery cathodes [Conference Presentation]. 10.2172/2540260

Song, B., Sikma, R.E., Gallis, D.F.S., Leung, K., & Ilgen, A.G. (2024). Separating Cobalt and Nickel in Aqueous Solutions using Reactive Nanopores in Functionalized MOF-808 Metal-Organic Frameworks [Conference Presentation]. 10.2172/2588931

Harrison, K.L., Jungjohann, K., Merrill, L.C., Small, K.A., Rosenberg, S.G., Leung, K., Bassett, K.L., & Long, D. (2023). Lithium Metal Anode Self Discharge [Conference Presentation]. 10.2172/2431829

Merrill, L.C., Long, D.M., Small, K.A., Jungjohann, K.L., Leung, K., Bassett, K.L., & Harrison, K.L. (2022). Role of Coatings as Artificial Solid Electrolyte Interphases on Lithium Metal Self-Discharge. Journal of Physical Chemistry C, 126(41), pp. 17490-17501. 10.1021/acs.jpcc.2c05385

Leung, K. (2022). First Principles Determination of the Potential-of-Zero-Charge in an Alumina-Coated Aluminum/Water Interface Model for Corrosion Applications. Journal of the Electrochemical Society, 169(8). 10.1149/1945-7111/ac8506

Leung, K. (2022). Galvanic Corrosion and Electric Field in Lithium Anode Passivation Films: Effects on Self-Discharge [Conference Presentation]. 10.2172/2004299

Leung, K. (2022). Pinpointing the Potential-of-Zero-Charge in Alumina-Coated Aluminum/Water Interface Model for Corrosion Applications [Conference Presentation]. 10.2172/2006390

Leung, K. (2022). Enhanced Cu(2+) Dimerization on Mineral Surfaces ? an ab initio Molecular Dynamics Free Energy Study [Conference Presentation]. 10.2172/2002120

Sayahpour, B., Hirsh, H., Bai, S., Schorr, N.B., Lambert, T.N., Mayer, M., Bao, W., Cheng, D., Zhang, M., Leung, K., Harrison, K.L., Li, W., & Meng, Y.S. (2021). Revisiting Discharge Mechanism of CFx as a High Energy Density Cathode Material for Lithium Primary Battery. Advanced Energy Materials, 12(5). 10.1002/aenm.202103196

Xiong, H., Kunwar, D., Jiang, D., Garcia-Vargas, C.E., Li, H., du, C., Canning, G., Pereira-Hernandez, X.I., Wan, Q., Lin, S., Purdy, S.C., Miller, J.T., Leung, K., Chou, S.S., Brongersma, H.H., Ter Veen, R., Huang, J., Guo, H., Wang, Y., & Datye, A.K. (2021). Engineering catalyst supports to stabilize PdOx two-dimensional rafts for water-tolerant methane oxidation. Nature Catalysis, 4(10), pp. 830-839. 10.1038/s41929-021-00680-4

Leung, K. (2021). Ab initio Molecular Dynamics Simulations of Rare Earth (III) Ion Desorption from Silica Surfaces [Conference Presentation]. 10.2172/1861974

Ilgen, A.G., Leung, K., & Kabengi, N. (2021). Adsorption of lanthanides at nanoconfined silica- and alumina-water interfaces [Conference Presentation]. 10.2172/1863188

Leung, K., & Ilgen, A.G. (2021). Interplay of physically different properties leading to challenges in separating lanthanide cations - anab initiomolecular dynamics and experimental study. Physical Chemistry Chemical Physics, 23(10), pp. 5750-5759. 10.1039/d1cp00031d

Cochrane, K., Goeke, R.S., Wilson, A.J., & Leung, K. (2021). Elucidating Hydrogen Reaction-Induced Water Desorption from Oxide-Passivated Metal Surfaces for Plasma Applications. 10.2172/1767836

Laity, G.R., Robinson, A.C., Cuneo, M.E., Alam, K.M., Beckwith, K., Bennett, N.L., Bettencourt, M.T., Bond, S.D., Cochrane, K., Criscenti, L., Cyr, E.C., Foulk, J.W., Drake, R.R., Evstatiev, E.G., Fierro, A.S., Gardiner, T.A., Foulk, J.W., Goeke, R.S., Hamlin, N.D., … McBride, R. (2020). Towards Predictive Plasma Science and Engineering through Revolutionary Multi-Scale Algorithms and Models (Final Report). 10.2172/1813907

Ilgen, A.G., Kabengi, N., & Leung, K. (2020). Interfacial chemistry in geologic nanopores (condensed version) [Conference Presentation]. 10.2172/1833507

Cuneo, M.E., Laity, G.R., Robinson, A.C., Gardiner, T.A., Bettencourt, M.T., Shadid, J.N., Cyr, E.C., Hansen, G., Myers, C., Peterson, K.J., Leung, K., Welch, D., Rose, D., McBride, R., & Sinars, D. (2019). Multi-Scale Multi-Physics Plasma Hybrid Algorithms Modeling and Simulations [Conference Poster]. https://www.osti.gov/biblio/1641379

Ilgen, A.G., Knight, A., Ilani-Kashkouli, P., Kabengi, N., Harvey, J.A., Greathouse, J.A., Criscenti, L., Leung, K., & Ho, T.A. (2019). Adsorption and Coordination Environment of Cations under Nano-scale Confinement [Presentation]. https://www.osti.gov/biblio/1645681

Greathouse, J.A., Criscenti, L., Ilgen, A.G., Leung, K., Knight, A.W., Ho, T.A., & Harvey, J.A. (2019). Interfacial Geochemistry of Nanopores: Molecular Behavior in Subsurface Environments [Conference Poster]. https://www.osti.gov/biblio/1639727

Leung, K., Criscenti, L., Knight, A.W., Ilgen, A.G., Ho, T.A., & Greathouse, J.A. (2018). Concerted Metal Cation Desorption and Proton Transfer on Deprotonated Silica Surfaces. Journal of Physical Chemistry Letters, 9(18), pp. 5379-5385. 10.1021/acs.jpclett.8b02173

Cochrane, K., Desjarlais, M.P., Lane, J.M.D., Leung, K., Thompson, A.P., & Wright, A.F. (2018). Desorption Source Modeling: from Electronic Structure Molecular Dynamics Temkin Isotherm to Finite Element Calculations [Conference Poster]. https://www.osti.gov/biblio/1581555

Ilgen, A.G., Criscenti, L., Greathouse, J.A., Leung, K., Knight, A.W., Ho, T.A., Harvey, J.A., Tigges, A., & Loera, L. (2018). Interfacial Geochemistry of Nanopores: Molecular Behavior in Subsurface Environments [Conference Poster]. https://www.osti.gov/biblio/1581943

Ilgen, A.G., Criscenti, L., Greathouse, J.A., Leung, K., Knight, A.W., Ho, T.A., Harvey, J.A., & Loera, L. (2018). Interfacial Geochemistry of Nanopores: Molecular Behavior in Subsurface Environments [Conference Poster]. https://www.osti.gov/biblio/1570175

Leung, K., Criscenti, L., Knight, A.W., Ilgen, A.G., Ho, T.A., & Greathouse, J.A. (2018). Concerted Metal Cation Desorption and Proton Transfer on Deprotonated Silica Surface [Conference Poster]. 10.1021/acs.jpclett.8b02173

Greathouse, J.A., Harvey, J.A., Ho, T.A., Leung, K., Lee, A., Criscenti, L., Gonzalez, R.I., & Johnston, C.T. (2018). Modeling of Adsorption and Vibrational Properties at Hydroxylated Mineral Surfaces [Conference Poster]. https://www.osti.gov/biblio/1575162

Leung, K., Pearse, A.J., Talin, A.A., Fuller, E.J., Rubloff, G.W., & Modine, N.A. (2018). Kinetics-Controlled Degradation Reactions at Crystalline LiPON/LixCoO2 and Crystalline LiPON/Li-Metal Interfaces. ChemSusChem, 11(12), pp. 1956-1969. 10.1002/cssc.201800027

Ilgen, A.G., Kukkadapu, R.K., Washington, R.E., & Leung, K. (2018). X-ray absorption Mossbauer diffuse reflectance spectroscopies and density functional theory calculations of Fe(II)/Fe(III) redox couple in ferric nontronites [Conference Poster]. https://www.osti.gov/biblio/1506565

Leung, K., & Jungjohann, K.L. (2017). Spatial Heterogeneities and Onset of Passivation Breakdown at Lithium Anode Interfaces. Journal of Physical Chemistry. C, 121(37). 10.1021/acs.jpcc.7b06983

Leung, K., Li, Y., & Qi, Y. (2016). Computational Exploration of the Li-Electrode|Electrolyte Interface in the Presence of a Nanometer Thick Solid-Electrolyte Interphase Layer. Accounts of Chemical Research, 49(10), pp. 2363-2370. 10.1021/acs.accounts.6b00363

Song, W., Leung, K., Gaskell, K.J., & Reutt-Robey, J.E. (2016). Complexation and Phase Evolution at Dimethylformamide-Ag(111) Interfaces. Journal of Physical Chemistry C, 120(40), pp. 22979-22988. 10.1021/acs.jpcc.6b06870

Leung, K., & Shan, R. (2016). Modeling Electric Double Layer Effects on Charge Transfer at Flow Battery Electrode/Electrolyte Interfaces. 10.2172/1562830

Park, S., Rupper, S., Enos, D., Alam, K.M., Martin, L.E., Knepper, R.A., Marquez, M.P., Leung, K., Kliewer, C., & Farrow, D. (2016). In situ study of Surface-mediated Explosive Degradation Using Heterodyne IR-Vis Sum Frequency Generation (SFG) [Conference Poster]. https://www.osti.gov/biblio/1368736

Leung, K., Malliakas, C.D., Pupek, K.Z., Shkrob, I.A., & Abraham, D.P. (2016). Spontaneous aggregation of lithium ion coordination polymers in fluorinated electrolytes for high-voltage batteries. Physical Chemistry Chemical Physics, 18(16), pp. 10846-10849. 10.1039/c6cp01157h

Alam, K.M., Knepper, R.A., Doyle, B.L., Auden, E.C., Kohl, I.T., Farrow, D., Leung, K., Enos, D., Martin, L.E., Marquez, M.P., & Rupper, S. (2016). In situ study of surface-mediated explosive degradation using Heterodyne IR-Vis Sum Frequency Generation (HSFG) [Conference Poster]. https://www.osti.gov/biblio/1422139

Leung, K., Lin, Y.X., Liu, Z., Chen, L.Q., Lu, P., & Qi, Y. (2016). Connecting the irreversible capacity loss in Li-ion batteries with the electronic insulating properties of solid electrolyte interphase (SEI) components. Journal of Power Sources, 309(C). 10.1016/j.jpowsour.2016.01.078

Farrow, D., Knepper, R.A., Doyle, B.L., Auden, E.C., Kohl, I.T., Alam, K.M., Leung, K., Enos, D., Martin, L.E., Marquez, M.P., & Rupper, S. (2015). In situ study of surface-mediated explosive degradation using Heterodyne IR-Vis Sum Frequency Generation [Conference Poster]. https://www.osti.gov/biblio/1505679

Fenton, K.R., Nagasubramanian, G., Staiger, C.L., Foulk, J.W., Rempe, S., Leung, K., Chaudhari, M.I., & Anderson, T.M. (2015). Organosilicon-Based Electrolytes for Long-Life Lithium Primary Batteries. 10.2172/1222982

Leung, K., Rempe, S., Chaudhari, M.I., Fenton, K.R., & Nagasubramanian, G. (2015). Density functional theory and conductivity studies of boron-based anion receptors. Journal of the Electrochemical Society, 162(9). 10.1149/2.1021509jes

Leung, K., Schroeder, M.A., Kumar, N., Pearse, A.J., Liu, C., Lee, S.B., Rubloff, G.W., Noked, M., & Author, N. (2015). DMSO–Li 2 O 2 Interface in the Rechargeable Li–O 2 Battery Cathode: Theoretical and Experimental Perspectives on Stability. ACS Applied Materials and Interfaces, 7(21). 10.1021/acsami.5b01969

Leung, K., & Leenheer, A.J. (2015). How voltage drops are manifested by lithium ion configurations at interfaces and in thin films on battery electrodes. Journal of Physical Chemistry C, 119(19), pp. 10234-10246. 10.1021/acs.jpcc.5b01643

Leung, K., Chaudhari, M.I., Rempe, S., Fenton, K.R., Foulk, J.W., Staiger, C.L., & Nagasubramanian, G. (2015). Density functional theory and conductivity studies of boron-based anion receptors [Conference Poster]. Journal of the Electrochemical Society. 10.1149/2.1021509jes

Sullivan, J.P., Fenton, K.R., el Gabaly, F., Harris, C.T., Hayden, C.C., Hudak, N.S., Jungjohann, K.L., Kliewer, C., Leung, K., McDaniel, A.H., Nagasubramanian, G., Sugar, J.D., Talin, A.A., Tenney, C.M., & Zavadil, K.R. (2014). The Science of Battery Degradation. 10.2172/1168432

Leung, K., & Tenney, C.M. (2013). Toward First Principles Prediction of Voltage Dependences of Electrolyte/Electrolyte Interfacial Processes in Lithium Ion Batteries. Journal of Physical Chemistry. C, 117(46), pp. 24224-24235. https://doi.org/10.1021/jp408974k

Leung, K., Rempe, S., & Foster, M.E. (2013). Modeling Electrochemical Decomposition of Fluoroethylene Carbonate on Silicon Anode Surfaces in Lithium Ion Batteries. Journal of the Electrochemical Society, 161(3). https://doi.org/10.1149/2.092401jes

Bartelt, N.C., McDaniel, A.H., Nagasubramanian, G., Sugar, J.D., Talin, A.A., Zavadil, K.R., el Gabaly, F., Fenton, K.R., Harris, C.T., Leung, K., & McCarty, K. (2013). In-Situ TEM of Li-ion Batteries [Conference]. https://www.osti.gov/biblio/1109420

Results 1–100 of 170
Results 1–100 of 170
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