Publications

Do, V.Q., E.R. Reale, I.C. Loud, P.G. Rozzi, H. Tan, D. Willis, K.C. Smith (2023) "Embedded, micro-interdigitated flow fields in high areal-loading intercalation electrodes towards seawater desalination and beyond," Energy and Environmental Science, DOI: 10.1039/D3EE01302B.
Hamid, M.A., K.C. Smith (2023) "A bottom-up, multi-scale theory for transient mass transport of redox-active species through porous electrodes beyond the pseudo-steady limit," Journal of Power Sources, 565, 232756.
2023
Shrivastava, A., V.Q. Do, K.C. Smith (2022) "Efficient, selective sodium and lithium removal by Faradaic deionization using symmetric sodium titanium vanadium phosphate intercalation electrodes," ACS Applied Materials and Interfaces, accepted.
Liu, S., K. Smith (2022), "Effects of Interstitial Water and Alkali Cations on the Expansion, Intercalation Potential, and Orbital Coupling of Nickel Hexacyanoferrate from First Principles," Journal of Applied Physics, 131, 105101.
2022
Reale, R.E., L. Regenwetter, A. Agrawal, B. Dardon, N. Dicola, S. Sanagala, and K.C. Smith (2021), "Low porosity, high areal-capacity Prussian blue analogue electrodes enhance salt removal and thermodynamic efficiency in symmetric Faradaic deionization with automated fluid control," Water Research X, 13, 100116.
Liu, S. and K.C. Smith (2021), "Linking the polyatomic arrangements of interstitial H2O and cations to bonding within Prussian blue analogues ab initio using gradient-boosted machine learning," Physical Review Materials, 5, 035003.
2021
Nemani, V.P. and K.C. Smith (2020), "Robust Simulation of Coupled Reactions and Transport in Redox Flow Batteries Using Tailored Numerical Schemes," Journal of the Electrochemical Society, 167, 103504.
Liu, S., V.Q. Do, and K.C. Smith (2020), "Modeling of Electrochemical Deionization Across Length Scales: Recent Accomplishments and New Opportunities," Current Opinion in Electrochemistry, 22, 72.
Li, Z., L.A. Robertson, I.A. Shkrob, K.C. Smith, L. Cheng, L. Zhang, J.S. Moore, and Y Z (2020), "Realistic Ion Dynamics through Charge Renormalization in Nonaqueous Electrolytes," Journal of Physical Chemistry B, 124, 3214.
Hamid, M.A. and K.C. Smith (2020), "Modeling the Transient Effects of Pore-Scale Convection and Redox Reactions in the Pseudo-Steady Limit," Journal of the Electrochemical Society, 167, 013521.
Nemani, V.P. and K.C. Smith (2020), "Assignment of Energy Loss Contributions in Redox Flow Batteries using Exergy Destruction Analysis," Journal of Power Sources, 447, 227371.
2020
Shrivastava, A., S. Liu, and K.C. Smith (2019), "Linking capacity loss and retention of nickel hexacyanoferrate to a two-site intercalation mechanism for aqueous Mg2+ and Ca2+ ions," Physical Chemistry Chemical Physics, 21, 20177.
Reale, R., A. Shrivastava, and K.C. Smith (2019), "Effect of Conductive Additives on the Transport Properties of Porous Flow-Through Electrodes with Insulative Particles and their Optimization for Faradaic Deionization," Water Research, 165, 114995.
Wang, Y., K.C. Smith (2019), "Numerical investigation of convective transport in redox flow battery tanks: Using baffles to increase utilization," The Journal of Energy Storage, 25, 100840.
Robertson, L. A., Z. Li, Y. Cao, I.A. Shkrob, M. Tyagi, K.C. Smith, L. Zhang, J.S. Moore, and Y. Zhang (2019), "Observation of Microheterogeneity in Highly Concentrated Nonaqueous Electrolyte Solutions," Journal of the American Chemical Society, 141, 8041.
Liu, S., K.C. Smith (2019), "Intercalated Cation Disorder in Prussian Blue Analogues: First Principles and Grand Canonical Analyses," Journal of Physical Chemistry C, 123, 10191.
Hand, S., X. Shang, J. Guest, K.C. Smith, R.D. Cusick (2019), "Global sensitivity analysis to characterize operational limits and prioritize performance goals of capacitive deionization technologies," Environmental Science and Technology, 53, 3748.
Bhat A.P., E.R. Reale, M. del Cerro, K.C. Smith, R.D. Cusick (2019), "Reducing impedance to ionic flux in capacitive deionization with Bi-tortuous activated carbon electrodes coated with asymmetrically charged polyelectrolytes," Water Research X, 3, 100027.
2019
Nemani, V.P., K.C. Smith (2018), "Analysis of Crossover-Induced Capacity Fade in Redox Flow Batteries with Non-Selective Separators," Journal of the Electrochemical Society, 165, A3144.
Shrivastava, A., K.C. Smith (2018), "Electron Conduction in Nanoparticle Agglomerates Limits Apparent Na+ Diffusion in Prussian Blue Analogue Porous Electrodes," Journal of the Electrochemical Society, 165, A1777.
Reale E.R., K.C. Smith (2018), "Capacitive Performance and Tortuosity of Activated Carbon Electrodes with Macroscopic Pores," Journal of the Electrochemical Society, 165, A1685.
Liu S., K.C. Smith (2018), "Quantifying the Trade-offs between Energy Consumption and Salt Removal Rate in Membrane-free Cation Intercalation Desalination," Electrochimica Acta, 271, 652.
Zemlyanov, D., M. Jespersen, D. Zakharov, J. Hu, R. Paul, A. Kumar, S. Pacley, N. Glavin, D. Saenz, K.C. Smith, T.S. Fisher, A. Voevodin (2018), "Versatile Technique for Assessing Thickness of 2D Layered Materials by XPS," Nanotechnology, 29, 115705.
2018
Shang, X., R.D. Cusick, K.C. Smith (2017), "A Combined Modeling and Experimental Study Assessing the Impact of Fluid Pulsation on Charge and Energy Efficiency in Capacitive Deionization," Journal of the Electrochemical Society, 164, E536.
Porada, S., A. Shrivastava, P. Bukowska, P.M. Biesheuvel, K.C. Smith (2017), "Nickel Hexacyanoferrate Electrodes for Continuous Cation Intercalation Desalination of Brackish Water," Electrochimica Acta, 255, 369.
Iyer, V.A., J.K. Schuh, E.C. Montoto, V.P. Nemani, S. Qian, G. Nagarjuna, J. Rodríguez-Lopez, R.H. Ewoldt, and K.C. Smith (2017), "Assessing the impact of electrolyte conductivity and viscosity on the reactor cost and pressure drop of redox-active polymer flow batteries," Journal of Power Sources, 361, 334.
Nemani, V.P. and K. C. Smith (2017), "Uncovering the role of flow rate in redox-active polymer flow batteries: simulation of reaction distributions with simultaneous mixing in tanks," Electrochimica Acta, 247, 475.
Smith, K.C. (2017), "Theoretical evaluation of electrochemical cell architectures using cation intercalation electrodes for desalination," Electrochimica Acta, 230, 333.
2017
Dmello, R., J.D. Milshtein, F.R. Brushett, and K.C. Smith (2016), "Cost-driven materials selection criteria for redox flow battery electrolytes," Journal of Power Sources, 330, 261.
Duan, W., R.S. Vemuri, J.D. Milshtein, S. Laramie, R.D. Dmello, J. Huang, L. Zhang, D. Hu, M. Vijayakumar, W. Wang, J. Liu, R.M. Darling, L. Thompson, K. Smith, J.S. Moore, F.R. Brushett, and X. Wei, "A symmetric organic-based nonaqueous redox flow battery and its state of charge diagnostics by FTIR," Journal of Materials Chemistry A, 4, 5448.
Chen, X., B.J. Hopkins, A. Helal, F.Y. Fan, K.C. Smith, Z. Li, A.H. Slocum, G.H. McKinley, W.C. Carter, and Y.-M. Chiang (2016), "A low-dissipation, pumpless, gravity-induced flow battery," Energy and Environmental Science, 9, 1760.
Smith, K.C. and R. Dmello (2016), "Na-Ion Desalination (NID) Enabled by Na-Blocking Membranes and Symmetric Na-Intercalation: Porous-Electrode Modeling," Journal of The Electrochemical Society, 163 A530.
2016
Hopkins, B.J., K.C. Smith, A.H. Slocum, and Y.-M. Chiang (2015), "Component-cost and performance based comparison of flow and static batteries," Journal of Power Sources, 293 1032.
Nemani, V.P., S.J. Harris, and K.C. Smith (2015), "Design of Bi-Tortuous, Anisotropic Graphite Anodes for Fast Ion-Transport in Li-Ion Batteries," Journal of The Electrochemical Society, 162 A1415.
Wei, T.S., F.Y. Fan, A. Helal, K.C. Smith, G.H. McKinley, Y.-M. Chiang, and J.A. Lewis, "Biphasic Electrode Suspensions for Li-Ion Semisolid Flow Cells with High Energy Density, Fast Charge Transport, and Low-Dissipation Flow," Advanced Energy Materials, 5 1500535.
Jackson, G.R., K.C. Smith, P.C. McCarthy, and T.S. Fisher (2015), "Modeling of Thermal Storage in Wax-Impregnated Foams with a Pore-Scale Submodel," Journal of Thermophysics and Heat Transfer, 29 812.
2015
Smith, K.C., Y.-M. Chiang, and W.C. Carter (2014), "Maximizing Energetic Efficiency in Flow Batteries Utilizing Non-Newtonian Fluids," Journal of the Electrochemical Society, 161 A486.
Smith, K.C., I. Srivastava, M. Alam, and T.S. Fisher (2014), "Variable-cell method for stress-controlled jamming of athermal, frictionless grains," Physical Review E, 89 042203.
Fan, F., W.H. Woodford, Z. Li, N. Baram, K.C. Smith, A. Helal, G.H. McKinley, W.C. Carter, and Y.-M. Chiang (2014), "Polysulfide Flow Batteries Enabled by Percolating Nanoscale Conductor Networks," Nano Letters, 14 2210.
Smith, K.C., V.E. Brunini, Y. Dong, Y.-M. Chiang, and W.C. Carter (2014), "Electroactive-Zone Extension in Flow-Battery Stacks," Electrochimica Acta, 147 460.
2014
Li, Z., K.C. Smith, Y. Dong, N. Baram, F. Fan, J. Xie, P. Limthongkul, W.C. Carter, and Y.-M. Chiang (2013), "Aqueous semi-solid flow cell: demonstration and analysis," Physical Chemistry Chemical Physics, 15 15833.
Rao, K.D.M., B. Radha, K.C. Smith, T.S. Fisher, and G.U. Kulkarni, (2013) "Solution-processed soldering of carbon nanotubes for flexible electronics," Nanotechnology, 24 075301.
Smith, K.C. and T.S. Fisher (2013), ‚Äö"Conduction in jammed systems of tetrahedra," ASME Journal of Heat Transfer, 135 081301.
Srivastava, I., S. Sadasivam, K.C. Smith and T.S. Fisher (2013), "Combined Microstructure and Heat Conduction Modeling of Heterogeneous Interfaces and Materials," ASME Journal of Heat Transfer, 135 061603.
Cadena, M.J., R. Misiego, K.C. Smith, A. Avila, B. Pipes, R. Reifenberger, and A. Raman (2013), "Sub-surface imaging of carbon nanotube-polymer composites using dynamic AFM methods," Nanotechnology, 24 135706.
2013
Smith, K.C. and T.S. Fisher (2012), "Models for metal hydride particle shape, packing, and heat transfer," International Journal of Hydrogen Energy, 37 13417-13428.
Smith, K.C., P. Mukherjee, and T.S. Fisher (2012), "Columnar order in jammed LiFePO4 cathodes: Ion transport catastrophe and its mitigation," Physical Chemistry Chemical Physics, 14 7040-7050.
2012
Smith, K.C., T.S. Fisher, and M. Alam (2011), "Isostaticity of constraints in amorphous jammed systems of soft frictionless Platonic solids," Physical Review E: Rapid Communications, 84 030301(R).
2011
Smith, K.C., T.S. Fisher, U.V. Waghmare, and R. Grau-Crespo (2010), "Dopant-vacancy binding effects in Li-doped magnesium hydride," Physical Review B, 82 134109.
Smith, K.C., M. Alam, and T.S. Fisher (2010), "Athermal jamming of soft frictionless Platonic solids," Physical Review E, 82 051304.
2010
Bhuvana, T., K.C. Smith, T.S. Fisher, and G.U. Kulkarni (2009), "Self-assembled CNT circuits with ohmic contacts using Pd hexadecanethiolate as in situ solder," Nanoscale, 1 271-275.
Smith, K.C., Y. Zheng, T.S. Fisher, T. Pourpoint, and I. Mudawar (2009), "Heat transfer in high-pressure metal hydride systems," Journal of Enhanced Heat Transfer, 16 1-15.
Grau-Crespo, R., K.C. Smith, T.S. Fisher, N.H. de Leeuw, and U.V. Waghmare (2009), "Thermodynamics of hydrogen vacancies in MgH2 from first-principles calculations and grand-canonical statistical mechanics," Physical Review B, 80 174117.
2009
Smith, K.C., C. Kemeny, R.J. Cipra, and B. Duerstock (2008), "Vision aid for power wheelchair users," ASME Journal of Medical Devices, 2 045001.
2008