Publications
For the most up-to-date list of our publications, visit Kara's Google Scholar page.
2025
Y. Wang, H. Luo, X.R. Advincula, Z. Zhao, A. Esfandiar, D. Wu, K.D Fong, L. Gao, A.S. Hazrah, T. Taniguchi, C. Schran, Y. Nagata, L. Bocquet, M.L. Bocquet, Y. Jiang, A. Michaelides, M. Bonn.* "Spontaneous Surface Charging and Janus Nature of the Hexagonal Boron Nitride-Water Interface." Journal of the American Chemical Society, 2025. [doi]
X. A. Advincula, K. D. Fong,* A. Michaelides,* C. Schran.* "Protons accumulate at the graphene-water interface." ACS Nano, 2025, 19.18: 17728-17737. [doi]
K. D. Fong,* C. P. Grey,* A. Michaelides.* "On the physical origins of reduced ionic conductivity in nanoconfined electrolytes." ACS Nano, 2025, 19.13: 13191-13201. [doi]
2024
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]