Publications
For the most up-to-date list of our publications, visit Kara's Google Scholar page.
2024
X. A. Advincula, K. D. Fong,* A. Michaelides,* C. Schran.* "The graphene‑water interface is acidic." arXiv preprint, 2024, [arXiv:2408.04487].
N. O'Neill, B. X. Shi, K. D. Fong, A. Michaelides,* C. Schran.* "To pair or not to pair? Machine‑learned explicitly‑correlated electronic structure for NaCl in water." The Journal of Physical Chemistry Letters, 2024, 15: 6081‑6091. [doi]
K. D. Fong,* B. Sumić, N. O'Neill, C. Schran, C. P. Grey,* A. Michaelides.* "The Interplay of Solvation and Polarization Effects on Ion Pairing in Nanoconfined Electrolytes." Nano Letters, 2024, 24, 16: 5024‑5030. [doi]
2023
O. A. Cohen, H. Macdermott‑Opeskin, L. Lee, T. Hou, K. D. Fong, R. Kingsbury, J. Wang, K. A. Persson.* "SolvationAnalysis: A Python Toolkit for Understanding Liquid Solvation Structure in Classical Molecular Dynamics Simulations." The Journal of Open Source Software, 2023, 8, 84: 5183. [doi]
H. K. Bergstrom, K. D. Fong, D. Halat, C. A. Karouta, H. C. Celik, J. A. Reimer, B. D. McCloskey.* "Ion correlation and negative lithium transference in polyelectrolyte solutions." Chemical Science, 2023, 14, 24: 6546‑6557. [doi]
2022
P. K. Jones, K. D. Fong, K. A. Persson, A. A. Lee.* "Inferring global dynamics from local structure in liquid electrolytes." arXiv preprint, 2022, [arXiv:2208.03182].
J. Cheng, K. D. Fong, K. A. Persson.* "Materials design principles of amorphous cathode coatings for lithium‑ion batteryapplications." Journal of Materials Chemistry A, 2022. [doi]
2021
J. Self, H. K. Bergstrom, K. D. Fong, B. D. McCloskey, K. A. Persson.* "A Theoretical Model for Computing Freezing Point Depression of Lithium-Ion Battery Electrolytes." Journal of the Electrochemical Society, 2021, 168: 120532. [doi]
T. Hou, K. D. Fong, J. Wang, K. A. Persson.* "The Solvation Structure, Transport Properties and Reduction Behavior of Carbonate-Based Electrolytes of Lithium-Ion Batteries." Chemical Science, 2021, 12, 44: 14740-14751. [doi]
A. J. Ringsby, K. D. Fong, J. Self, H. K. Bergstrom, B. D. McCloskey, K. A. Persson.* "Transport Phenomena in Low Temperature Lithium-Ion Battery Electrolytes." Journal of the Electrochemical Society, 2021, 168: 080501. [doi]
H. K. Bergstrom, K. D. Fong, B. D. McCloskey.* "Interfacial Effects on Transport Coefficient Measurements in Li-ion Battery Electrolytes." Journal of the Electrochemical Society, 2021, 168: 060543. [doi]
K. D. Fong, J. Self, B. D. McCloskey,* K. A. Persson.* "Ion Correlations and Their Impact on Transport in Polymer-Based Electrolytes." Macromolecules, 2021, 54, 6: 2575-2591. [doi]
2020
K. D. Fong, J. Self, B. D. McCloskey,* K. A. Persson.* "Onsager Transport Coefficients and Transference Numbers in Polyelectrolyte Solutions and Polymerized Ionic Liquids." Macromolecules, 2020, 53, 21: 9503-9512. [doi]
K. D. Fong, H. K. Bergstrom, B. D. McCloskey, K. K. Mandadapu.* "Transport Phenomena in Electrolyte Solutions: Non-Equilibrium Thermodynamics and Statistical Mechanics." AIChE Journal, 2020, 66, 12: e17091. [doi]
J. Self, N. T. Hahn, K. D. Fong, S. A. McClary, K. R. Zavadil, and K. A. Persson.* "Ion Pairing and Redissociaton in Low-Permittivity Electrolytes for Multivalent Battery Applications." J. Phys. Chem. Lett, 2020, 11, 6: 2046-2052. [doi]
2019
J. Self, K. D. Fong, and K. A. Persson.* "Transport in Superconcentrated LiPF6 and LiBF4/Propylene Carbonate Electrolytes." ACS Energy Letters, 2019, 4: 2843-2849. [doi]
J. Self, K. D. Fong, E. R. Logan, and K. A. Persson.* "Ion Association Constants for Lithium Ion Battery Electrolytes from First Principles Quantum Chemistry." Journal of the Electrochemical Society, 2019, 166: A3554-A3558. [doi]
K. D. Fong, J. Self, K. M. Diederichsen, B. M. Wood, B. D. McCloskey,* and K. A. Persson.* "Ion Transport and the True Transference Number in Nonaqueous Polyelectrolyte Solutions for Lithium-Ion Batteries." ACS Central Science, 2019, 5: 1250-1260. [doi]
2018
K. M. Diederichsen, K. D. Fong, R. C. Terrell, K. A. Persson, and B. D. McCloskey.* "Investigation of Solvent Type and Salt Addition in High Transference Number Nonaqueous Polyelectrolyte Solutions for Lithium Ion Batteries." Macromolecules, 2018, 51: 8761-8771. [doi]
T. Wang, H.-K. Kim, Y. Liu, W. Li, J. T. Griffiths, Y. Wu, S. Laha, K. D. Fong, F. Podjaski, C. Yun, R. V. Kumar, B. V. Lotsch, A. K. Cheetham, and S. K. Smoukov.* "Bottom-up Formation of Carbon-Based Structures with Multilevel Hierarchy from MOF–Guest Polyhedra." Journal of the American Chemical Society, 2018, 140: 6130-6136. [doi]
2017
K. D. Fong, T. Wang, and S. K. Smoukov.* "Mutli-Dimensional Performance Optimization of Conducting Polymer-Based Supercapacitor Electrodes." Sustainable Energy and Fuels, 2017, 1: 1857-1874. [doi]
K. D. Fong, T. Wang, H.-K. Kim, R. V. Kumar, and S. K. Smoukov.* "Semi-Interpenetrating Polymer Networks for Enhanced Supercapacitor Electrodes." ACS Energy Letters, 2017, 2: 2014-2020. [doi]
T. L. Sirich,* K. D. Fong, B. Larive, G. J. Beck, G. M. Chertow, N. W. Levin, A. S. Kliger, N. S. Plummer, and T. W. Meyer. "Limited Reduction in Uremic Solute Concentrations with Increased Dialysis Frequency and Time in the Frequent Hemodialysis Network Daily Trial." Kidney International, 2017, 91: 1186-1192. [doi]
Before 2017
J. W. F. To, J. W. D. Ng, S. Siahrostami, A. L. Koh, Y. Lee, Z. Chen, K. D. Fong, S. Chen, J. He, W.-G. Bae, J. Wilcox, H. Y. Jeong, K. Kim, F. Studt,* J. K. Nørskov,* T. F. Jaramillo,* and Z. Bao.* "High-performance Oxygen Reduction and Evolution Carbon Catalysis: From Mechanistic Studies to Device Integration." Nano Research, 2016, 10: 1163-1177. [doi]
F. J. O'Brien, K. D. Fong, T. L. Sirich, and T. W. Meyer.* "More Dialysis Has Not Proven Much Better." Seminars in Dialysis, 2016, 29: 481-490. [doi]
T.M. Meyer,* T.L. Sirich, K. D. Fong, N.S. Plummer, T. Shafi, S. Hwan, T. Banerjee, Y. Zhu, N.R. Powe, X. Hai, and T.H. Hostetter. "Kt/Vurea and Nonurea Small Solute Levels in the Hemodialysis Study." Journal of the American Society of Nephrology, 2016, 27: 3469-3478. [doi]
J.D. Benck, S.C. Lee, K. D. Fong, J. Kibsgaard, R. Sinclair, and T.F. Jaramillo.* "Designing Active and Stable Silicon Photocathodes for Solar Hydrogen Evolution Using Molybdenum Sulfide Nanomaterials." Advanced Energy Materials, 2014, 4: 1400739. [doi]